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 1
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-BISABOLENE, (E)-

SMILES

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

InChI

InChIKey=YHBUQBJHSRGZNF-KEQVLUGWSA-N
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+/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 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:14:23 GMT 2023
Edited
by admin
on Fri Dec 15 18:14:23 GMT 2023
Record UNII
2I1R0087H8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-BISABOLENE, (E)-
Common Name English
TRANS-.ALPHA.-BISABOLENE
Common Name English
.ALPHA.-(E)-BISABOLENE
Common Name English
(E)-.ALPHA.-BISABOLENE
Common Name English
2,5-HEPTADIENE, 2-METHYL-6-(4-METHYL-3-CYCLOHEXEN-1-YL)-, (E)-
Systematic Name English
CYCLOHEXENE, 4-((1E)-1,5-DIMETHYL-1,4-HEXADIEN-1-YL)-1-METHYL-
Systematic Name English
CYCLOHEXENE, 4-(1,5-DIMETHYL-1,4-HEXADIENYL)-1-METHYL-, (E)-
Common Name English
CYCLOHEXENE, 4-((1E)-1,5-DIMETHYL-1,4-HEXADIEN-1-YL)-1-METHYL-, (4S)-
Systematic Name English
CYCLOHEXENE, 4-((1E)-1,5-DIMETHYL-1,4-HEXADIENYL)-1-METHYL-, (4S)-
Systematic Name English
CYCLOHEXENE, 4-(1,5-DIMETHYL-1,4-HEXADIENYL)-1-METHYL-, (S-(E))-
Common Name English
Code System Code Type Description
CAS
70286-32-7
Created by admin on Fri Dec 15 18:14:23 GMT 2023 , Edited by admin on Fri Dec 15 18:14:23 GMT 2023
PRIMARY
FDA UNII
2I1R0087H8
Created by admin on Fri Dec 15 18:14:23 GMT 2023 , Edited by admin on Fri Dec 15 18:14:23 GMT 2023
PRIMARY
PUBCHEM
24798703
Created by admin on Fri Dec 15 18:14:23 GMT 2023 , Edited by admin on Fri Dec 15 18:14:23 GMT 2023
PRIMARY