(6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e,28e)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-2-ol (CED0087002)

Record Information

Version

1.0

Creation Date

2026-08-22 14:14:38 UTC

Update Date

2026-08-22 14:14:38 UTC

Accession Number

CHEM216342

Identification

Common Name

(6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e,28e)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-2-ol

Class

Small Molecule

Description

(6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e,28e)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-2-ol belongs to the tetraterpenoids, a subclass of prenol lipids within the organic compounds. It has the chemical formula C41H60O2. With an average molecular weight of 584.90 g/mol, (6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e,28e)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-2-ol is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₁H₆₀O₂

Average Molecular Mass

584.900 g/mol

Monoisotopic Mass

584.459 g/mol

CAS Registry Number

5017-53-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C41H60O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-17,19-29,31,42H,18,30,32-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+

InChI Key

CGEVWQFVGBQXOA-WQMGISBJSA-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 LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014r-0010190000-d7694f54ac57b958f8f5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01t9-1479860000-73f0b0d924c3fd1aa417	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00or-3435920000-abc48942c0a2744ee5cd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0000090000-1217d09122ffa8293ff6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00lr-0000090000-85f24cc86e3a4e787e56	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kr-1010190000-49b065628c60ef24e112	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

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
3827.0	Log mg/kg	[2200:6800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
597	Chemosterilants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available

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	Retinoic acid receptor gamma	P13631	Humans	Predicted (SEA)	1737.98
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P19793	Humans	Predicted (SEA)	2456.69
Click to view 3D structure	DNA-directed RNA polymerase subunit beta	P0A8V2	Escherichia coli (strain K12)	Predicted (SEA)	35.1878
Click to view 3D structure	Retinoic acid receptor alpha	P11416	Mus musculus	Predicted (SEA)	170.101
Click to view 3D structure	Retinoic acid receptor gamma	P18911	Mus musculus	Predicted (SEA)	198.126
Click to view 3D structure	Retinoic acid receptor beta	P22605	Mus musculus	Predicted (SEA)	188.629
Click to view 3D structure	Retinoic acid receptor beta	P10826	Humans	Predicted (SEA)	2134.55
Click to view 3D structure	Retinoic acid receptor alpha	P10276	Humans	Predicted (SEA)	2833.24
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P28700	Mus musculus	Predicted (SEA)	215.253
Click to view 3D structure	Cellular retinoic acid-binding protein 1	P62965	Mus musculus	Predicted (SEA)	2.64687
Click to view 3D structure	Cellular retinoic acid-binding protein 2	P22935	Mus musculus	Predicted (SEA)	2.64687
Click to view 3D structure	Cellular retinoic acid-binding protein 1	P40220	Gallus gallus	Predicted (SEA)	2.41333
Click to view 3D structure	Retinoic acid receptor RXR-beta	P28702	Humans	Predicted (SEA)	1834.91
Click to view 3D structure	Retinoic acid receptor RXR-gamma	P48443	Humans	Predicted (SEA)	1407.59
Click to view 3D structure	Aldehyde dehydrogenase 1A1	P27463	Gallus gallus	Predicted (SEA)	2.80257
Click to view 3D structure	Retinoic acid receptor RXR-gamma	P28705	Mus musculus	Predicted (SEA)	657.515
Click to view 3D structure	Amyloid-beta precursor protein	P05067	Humans	Predicted (SEA)	5890.31
Click to view 3D structure	Alpha-synuclein	P37840	Humans	Predicted (SEA)	1949.81
Click to view 3D structure	Squalene epoxidase	A7L861	Sus scrofa	Predicted (SEA)	5.44945
Click to view 3D structure	Vitamin D3 receptor	A3RGC1	Sus scrofa	Predicted (SEA)	25.0674
Click to view 3D structure	Vitamin D-binding protein	P02774	Humans	Predicted (SEA)	25.0674
Click to view 3D structure	Retinoic acid receptor RXR-beta	P28704	Mus musculus	Predicted (SEA)	1257.03
Click to view 3D structure	Prosaposin	P07602	Humans	Predicted (SEA)	205.755
Click to view 3D structure	Retinoic acid receptor RXR-alpha	Q05343	Rattus norvegicus	Predicted (SEA)	310.774
Click to view 3D structure	Bile salt export pump	O95342	Humans	Predicted (SEA)	7512.76