U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O
Molecular Weight 218.3346
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-VETIVONE

SMILES

[H][C@@]1(C)CC(=O)C=C(C)[C@@]12CCC(C2)=C(C)C

InChI

InChIKey=ISLOGSAEQNKPGG-DOMZBBRYSA-N
InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12H,5-6,8-9H2,1-4H3/t12-,15+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.BETA.-VETIVONE
MI  
Common Name English
2-ISOPROPYLIDENE-6,10-DIMETHYLSPIRO(4.5)DEC-6-EN-.BETA.-ONE
Common Name English
(5R-CIS)-6,10-DIMETHYL-2-(1-METHYLETHYLIDENE)SPIRO(4.5)DEC-6-EN-.BETA.-ONE
Common Name English
.BETA.-VETIVONE [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70885043
Created by admin on Fri Dec 15 19:08:21 GMT 2023 , Edited by admin on Fri Dec 15 19:08:21 GMT 2023
PRIMARY
MERCK INDEX
m11437
Created by admin on Fri Dec 15 19:08:21 GMT 2023 , Edited by admin on Fri Dec 15 19:08:21 GMT 2023
PRIMARY Merck Index
PUBCHEM
442406
Created by admin on Fri Dec 15 19:08:21 GMT 2023 , Edited by admin on Fri Dec 15 19:08:21 GMT 2023
PRIMARY
FDA UNII
V86K3R7R4P
Created by admin on Fri Dec 15 19:08:21 GMT 2023 , Edited by admin on Fri Dec 15 19:08:21 GMT 2023
PRIMARY
CAS
18444-79-6
Created by admin on Fri Dec 15 19:08:21 GMT 2023 , Edited by admin on Fri Dec 15 19:08:21 GMT 2023
PRIMARY