TOXOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H14O3
Molecular Weight	218.2485
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TOXOL

Structure Search

SMILES

CC(=C)[C@@H]1OC2=CC=C(C=C2[C@H]1O)C(C)=O

InChI

InChIKey=KWZYQHQNOWRQRG-OLZOCXBDSA-N

InChI=1S/C13H14O3/c1-7(2)13-12(15)10-6-9(8(3)14)4-5-11(10)16-13/h4-6,12-13,15H,1H2,2-3H3/t12-,13+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NSC-247530

Preferred Name

English

TOXOL

Common Name

English

BENZOFURAN, 5-ACETYL-2,3-DIHYDRO-3-HYDROXY-2-ISOPROPENYL-, (2S,3R)-(-)-

Systematic Name

English

ETHANONE, 1-(2,3-DIHYDRO-3-HYDROXY-2-(1-METHYLETHENYL)-5-BENZOFURANYL)-, (2S-TRANS)-

Systematic Name

English

KETONE, 2,3-DIHYDRO-3-HYDROXY-2-ISOPROPENYL-5-BENZOFURANYL METHYL, (2S,3S)-

Systematic Name

English

1-((2S,3R)-2,3-DIHYDRO-3-HYDROXY-2-(1-METHYLETHENYL)-5-BENZOFURANYL)ETHANONE

Common Name

English

ETHANONE, 1-((2S,3R)-2,3-DIHYDRO-3-HYDROXY-2-(1-METHYLETHENYL)-5-BENZOFURANYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

441948

Created by admin on Wed Apr 02 08:42:33 GMT 2025 , Edited by admin on Wed Apr 02 08:42:33 GMT 2025

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WIKIPEDIA

Toxol

Created by admin on Wed Apr 02 08:42:33 GMT 2025 , Edited by admin on Wed Apr 02 08:42:33 GMT 2025

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NSC

247530

Created by admin on Wed Apr 02 08:42:33 GMT 2025 , Edited by admin on Wed Apr 02 08:42:33 GMT 2025

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FDA UNII

YQX3QAA4JL

Created by admin on Wed Apr 02 08:42:33 GMT 2025 , Edited by admin on Wed Apr 02 08:42:33 GMT 2025

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EPA CompTox

DTXSID70949159

Created by admin on Wed Apr 02 08:42:33 GMT 2025 , Edited by admin on Wed Apr 02 08:42:33 GMT 2025

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CAS

26296-56-0

Created by admin on Wed Apr 02 08:42:33 GMT 2025 , Edited by admin on Wed Apr 02 08:42:33 GMT 2025

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SUBSTANCE RECORD


					YQX3QAA4JL

TOXOL