(6'-acetyloxy-2',7'-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate (CED0107774)

Record Information

Version

1.0

Creation Date

2026-08-22 02:24:42 UTC

Update Date

2026-08-22 02:24:42 UTC

Accession Number

CHEM207938

Identification

Common Name

(6'-acetyloxy-2',7'-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate

Class

Small Molecule

Description

(6'-acetyloxy-2',7'-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate is an organoheterocyclic compound with the chemical formula C24H14Cl2O7 and an average molecular weight of 485.30 g/mol. (6'-acetyloxy-2',7'-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This substance has been found in or released from three recorded sources, specifically electrical and electronic equipment including amplifiers, magnets, and television systems.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₄H₁₄Cl₂O₇

Average Molecular Mass

485.300 g/mol

Monoisotopic Mass

484.012 g/mol

CAS Registry Number

2044-85-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C24H14Cl2O7/c1-11(27)30-21-9-19-15(7-17(21)25)24(14-6-4-3-5-13(14)23(29)33-24)16-8-18(26)22(31-12(2)28)10-20(16)32-19/h3-10H,1-2H3

InChI Key

VQVUBYASAICPFU-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	splash10-000f-6109400000-40fc6602213f4f43947c	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0000900000-641c9b5bc35ec752af00	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0000900000-7211705930d6fc61c6b3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fml-0007900000-23333deb2f1423f7fe6e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001l-0000900000-468dd31b795f4141c27e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0001900000-3eeb147c7784dcb443bd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00ry-9006700000-e9a65789202c4b12406f	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
2771.0	Log mg/kg	[1600:4900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
505	Amplifiers	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	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	Thymidylate synthase	P00469	Lactobacillus casei	Predicted (SEA)	10.4318
Click to view 3D structure	Thymidylate synthase	P0CS13	Cryptococcus neoformans var. neoformans B-3501A	Predicted (SEA)	0.389246
Click to view 3D structure	Thymidylate synthase	C3SWJ7	Escherichia coli	Predicted (SEA)	9.6533
Click to view 3D structure	Thymidylate synthase	P0A884	Escherichia coli (strain K12)	Predicted (SEA)	0.389246
Click to view 3D structure	Thymidylate synthase	P04818	Humans	Predicted (SEA)	14.6357
Click to view 3D structure	Alpha-ketoglutarate-dependent dioxygenase FTO	Q9C0B1	Humans	Predicted (SEA)	18.9952
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	148.225
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	1100.24
Click to view 3D structure	Complement factor D	P32038	Rattus norvegicus	Predicted (SEA)	6.46149
Click to view 3D structure	Thymidylate synthase	P13100	Pneumocystis carinii	Predicted (SEA)	0.155698
Click to view 3D structure	Tyrosyl-DNA phosphodiesterase 2	O95551	Humans	Predicted (SEA)	18.3724
Click to view 3D structure	Apoptotic protease-activating factor 1	O14727	Humans	Predicted (SEA)	64.1478
Click to view 3D structure	Sentrin-specific protease 8	Q96LD8	Humans	Predicted (SEA)	87.7361
Click to view 3D structure	Mothers against decapentaplegic homolog 3	P84022	Humans	Predicted (SEA)	2.95827
Click to view 3D structure	G-protein coupled receptor 55	Q9Y2T6	Humans	Predicted (SEA)	188.551
Click to view 3D structure	Dihydrofolate reductase	P00374	Humans	Predicted (SEA)	153.441
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	2297.02
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	886.469
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	2611.61
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	2199.79
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	3658.84
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	1020.45
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	1948.49
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	1987.26
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1410.24