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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24
Molecular Weight 204.3511
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-BISABOLENE

SMILES

CC(C)=CCCC(=C)[C@H]1CCC(C)=CC1

InChI

InChIKey=XZRVRYFILCSYSP-OAHLLOKOSA-N
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H24
Molecular Weight 204.3511
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:50:46 GMT 2023
Edited
by admin
on Fri Dec 15 18:50:46 GMT 2023
Record UNII
S19BRC22QA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-BISABOLENE
Common Name English
FEMA NO. 4940
Code English
BETA-BISABOLENE
Common Name English
CYCLOHEXENE, 1-METHYL-4-(5-METHYL-1-METHYLENE-4-HEXENYL)-, (S)-
Systematic Name English
CYCLOHEXENE, 1-METHYL-4-(5-METHYL-1-METHYLENE-4-HEXEN-1-YL)-, (4S)-
Systematic Name English
(S)-1-METHYL-4-(5-METHYL-1-METHYLENE-4-HEXENYL)CYCLOHEXENE
Systematic Name English
(-)-.BETA.-BISABOLENE
Common Name English
BISABOLENE [FHFI]
Common Name English
1,5-HEPTADIENE, 6-METHYL-2-(4-METHYL-3-CYCLOHEXEN-1-YL)-, (S)-(-)-
Common Name English
CYCLOHEXENE, 1-METHYL-4-(5-METHYL-1-METHYLENE-4-HEXENYL)-, (4S)-
Systematic Name English
Code System Code Type Description
CAS
495-61-4
Created by admin on Fri Dec 15 18:50:46 GMT 2023 , Edited by admin on Fri Dec 15 18:50:46 GMT 2023
PRIMARY
PUBCHEM
10104370
Created by admin on Fri Dec 15 18:50:46 GMT 2023 , Edited by admin on Fri Dec 15 18:50:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID70101755
Created by admin on Fri Dec 15 18:50:46 GMT 2023 , Edited by admin on Fri Dec 15 18:50:46 GMT 2023
PRIMARY
CHEBI
49249
Created by admin on Fri Dec 15 18:50:46 GMT 2023 , Edited by admin on Fri Dec 15 18:50:46 GMT 2023
PRIMARY
FDA UNII
S19BRC22QA
Created by admin on Fri Dec 15 18:50:46 GMT 2023 , Edited by admin on Fri Dec 15 18:50:46 GMT 2023
PRIMARY
CHEBI
49263
Created by admin on Fri Dec 15 18:50:46 GMT 2023 , Edited by admin on Fri Dec 15 18:50:46 GMT 2023
PRIMARY