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 ( + )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bisacurone B

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-MXYBEHONSA-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

Approval Year

Name Type Language
Bisacurone B
Common Name English
2-Hepten-4-one, 6-[(1R,4S,5R)-4,5-dihydroxy-4-methyl-2-cyclohexen-1-yl]-2-methyl-, (6S)-
Systematic Name English
(+)-Bisacurone B
Common Name English
(6S)-6-[(1R,4S,5R)-4,5-Dihydroxy-4-methyl-2-cyclohexen-1-yl]-2-methyl-2-hepten-4-one
Systematic Name English
Code System Code Type Description
PUBCHEM
14287400
Created by admin on Sat Dec 16 19:22:46 GMT 2023 , Edited by admin on Sat Dec 16 19:22:46 GMT 2023
PRIMARY
CAS
127214-85-1
Created by admin on Sat Dec 16 19:22:46 GMT 2023 , Edited by admin on Sat Dec 16 19:22:46 GMT 2023
PRIMARY
FDA UNII
NA37AH8VXY
Created by admin on Sat Dec 16 19:22:46 GMT 2023 , Edited by admin on Sat Dec 16 19:22:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID301316738
Created by admin on Sat Dec 16 19:22:46 GMT 2023 , Edited by admin on Sat Dec 16 19:22:46 GMT 2023
PRIMARY