8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione (CED0274023)

Record Information

Version

1.0

Creation Date

2026-08-30 00:00:43 UTC

Update Date

2026-08-30 00:00:43 UTC

Accession Number

CHEM319231

Identification

Common Name

8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

Class

Small Molecule

Description

8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione is a chemical compound with the formula C20H24O11. It has an average molecular weight of 440.40 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₂₄O₁₁

Average Molecular Mass

Not Available

Monoisotopic Mass

440.132 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O

InChI Identifier

InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3

InChI Key

AMOGMTLMADGEOQ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0595-6309400000-191426c7552444bc5349	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-03fu-9120058000-8c999eecf6a79f4fe8c7	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0319200000-fda07b5a5183cf845528	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01t9-2900000000-7bd5c28f44b536287def	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0920000000-a1d2869ffd2904ead033	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001r-0009700000-6b82740306292dc9793d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0930000000-1eed537fdbdfbd908d20	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004j-0910000000-bb08669ddb558c40339a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-056r-0910000000-ce602300ca87a0dfa2be	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a6r-0494000000-b62e40a43870f9f69358	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001r-0009800000-94020adde528d4b1fb1c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-1920000000-1354d069ff5c9c47d0b0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a6r-0395000000-af075c1b6d49cd2cef0c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0000900000-73fadd2e212b8f3a37d3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0133900000-118cdc86a8eca92e55f7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-2910000000-203e4a9095298242cd17	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001r-0009800000-656236784494b55a14a8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a6r-0495000000-1dcf858617e93e129c2b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0319300000-190c2c0c711839ef01da	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0122900000-06b311cd6acac3d91000	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0000900000-441bc254beecbf828fb9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0123900000-6a79e123bf84e99f88c0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004j-0910000000-909b5395bfcff25d47c0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0319200000-08ad7562cc1b1a9bf656	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0035900000-f28b66942bdafa724fde	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0000900000-98413cb9af6db18ac763	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0219200000-f62a6993a8f62f265852	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0201-4910000000-e042a119ddb0928c1542	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0002900000-b397f1492067249ed856	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006x-1019800000-68c5a273b1c5b7262ffa	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05i0-6009400000-9635694ced9239fd4437	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0004900000-5e9ca224ba7b77046fee	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-007a-1009600000-9cac26a87fe1ac3502cb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-1019000000-45222b49116d85560207	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001r-0009500000-366f9fffad842220efba	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-08fr-0102900000-28fa51594f61f6d7db9a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02or-9611000000-8765479acd8700315641	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0000900000-3f234043fff26e8070c5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0002900000-113eb398e7e35fdf9769	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0cdl-3239000000-78bcaae3cebd948a3ad0	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Platelet-activating factor receptor	Q62035	Mus musculus	Predicted (SEA)	0.233548
Click to view 3D structure	Glycine receptor subunit alpha-2	P23416	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Glycine receptor subunit alpha-1	P23415	Humans	Predicted (SEA)	0.934191
Click to view 3D structure	Platelet-activating factor receptor	P25105	Humans	Predicted (SEA)	83.7658
Click to view 3D structure	Glycine receptor subunit alpha-2	P22771	Rattus norvegicus	Predicted (SEA)	0.622794
Click to view 3D structure	Platelet-activating factor receptor	P21556	Cavia porcellus	Predicted (SEA)	17.4382
Click to view 3D structure	Beta-glucuronidase	P08236	Humans	Predicted (SEA)	526.65
Click to view 3D structure	Fumarate reductase	F1KRD8	Ascaris suum	Predicted (SEA)	3.58106
Click to view 3D structure	Sodium channel protein type 11 subunit alpha	O88457	Rattus norvegicus	Predicted (SEA)	2.80257
Click to view 3D structure	Thymidine kinase, cytosolic	P27158	Rattus norvegicus	Predicted (SEA)	226.23
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	7775.89
Click to view 3D structure	Asialoglycoprotein receptor 1	P07306	Humans	Predicted (SEA)	318.715
Click to view 3D structure	Heterogeneous nuclear ribonucleoprotein A1	P09651	Humans	Predicted (SEA)	2417.92
Click to view 3D structure	Mediator of RNA polymerase II transcription subunit 25	Q71SY5	Humans	Predicted (SEA)	169.4
Click to view 3D structure	Dual specificity mitogen-activated protein kinase kinase 1	Q02750	Humans	Predicted (SEA)	7733.93
Click to view 3D structure	Photoreceptor-specific nuclear receptor	Q9Y5X4	Humans	Predicted (SEA)	7552.31
Click to view 3D structure	Tegument protein VP16	P06492	Herpes simplex virus (type 1 / strain 17)	Predicted (SEA)	7493.07
Click to view 3D structure	Phenylalanine--tRNA ligase, mitochondrial	O95363	Humans	Predicted (SEA)	1430.09
Click to view 3D structure	Ecdysone receptor	P34021	Drosophila melanogaster	Predicted (SEA)	209.804
Click to view 3D structure	Solute carrier organic anion transporter family member 1B1	Q9Y6L6	Humans	Predicted (SEA)	7477.5
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform	Q76MZ3	Mus musculus	Predicted (SEA)	96.533
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	7688.7
Click to view 3D structure	Transcriptional activator Myb	P01103	Gallus gallus	Predicted (SEA)	264.22
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	7777.76
Click to view 3D structure	DNA topoisomerase 1	P11387	Humans	Predicted (SEA)	6182.32