BISACURONE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H24O3
Molecular Weight	252.3493
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BISACURONE

Structure Search

SMILES

[H][C@@]1(C[C@H](O)[C@@](C)(O)C=C1)[C@@H](C)CC(=O)C=C(C)C

InChI

InChIKey=QJOWFYQIUZMPRY-NEBZKDRISA-N

InChI=1S/C15H24O3/c1-10(2)7-13(16)8-11(3)12-5-6-15(4,18)14(17)9-12/h5-7,11-12,14,17-18H,8-9H2,1-4H3/t11-,12+,14-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H24O3
Molecular Weight	252.3493
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:30:14 GMT 2023` Edited by `admin` on `Sat Dec 16 17:30:14 GMT 2023`
Record UNII	SA836UFA35
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BISACURONE

Common Name

English

2-Hepten-4-one, 6-[(1R,4S,5S)-4,5-dihydroxy-4-methyl-2-cyclohexen-1-yl]-2-methyl-, (6S)-

Systematic Name

English

(6S)-6-[(1R,4S,5S)-4,5-Dihydroxy-4-methyl-2-cyclohexen-1-yl]-2-methyl-2-hepten-4-one

Systematic Name

English

Code System Code Type Description

CAS

120681-81-4

Created by admin on Sat Dec 16 17:30:14 GMT 2023 , Edited by admin on Sat Dec 16 17:30:14 GMT 2023

PRIMARY

WIKIPEDIA

Bisacurone

Created by admin on Sat Dec 16 17:30:14 GMT 2023 , Edited by admin on Sat Dec 16 17:30:14 GMT 2023

PRIMARY

PUBCHEM

14287397

Created by admin on Sat Dec 16 17:30:14 GMT 2023 , Edited by admin on Sat Dec 16 17:30:14 GMT 2023

PRIMARY

FDA UNII

SA836UFA35

Created by admin on Sat Dec 16 17:30:14 GMT 2023 , Edited by admin on Sat Dec 16 17:30:14 GMT 2023

PRIMARY

EPA CompTox

DTXSID501336136

Created by admin on Sat Dec 16 17:30:14 GMT 2023 , Edited by admin on Sat Dec 16 17:30:14 GMT 2023

PRIMARY