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 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SESQUIPHELLANDRENE, (-)-.BETA.-

SMILES

[H][C@@]1(CCC(=C)C=C1)[C@@H](C)CCC=C(C)C

InChI

InChIKey=PHWISBHSBNDZDX-LSDHHAIUSA-N
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H24
Molecular Weight 204.3511
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:43:00 GMT 2023
Edited
by admin
on Sat Dec 16 18:43:00 GMT 2023
Record UNII
T636HYS7CY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SESQUIPHELLANDRENE, (-)-.BETA.-
Common Name English
2-HEPTENE, 2-METHYL-6-(4-METHYLENE-2-CYCLOHEXEN-1-YL)-, (1'R,6S)-(-)-
Systematic Name English
CYCLOHEXENE, 3-(1,5-DIMETHYL-4-HEXENYL)-6-METHYLENE-, (S-(R*,S*))-
Systematic Name English
CYCLOHEXENE, 3-((1S)-1,5-DIMETHYL-4-HEXEN-1-YL)-6-METHYLENE-, (3R)-
Systematic Name English
.BETA.-SESQUIPHELLANDRENE
Common Name English
(-)-(6R,7S)-SESQUIPHELLANDRENE
Systematic Name English
(-)-.BETA.-SESQUIPHELLANDRENE
Common Name English
Code System Code Type Description
CAS
20307-83-9
Created by admin on Sat Dec 16 18:43:00 GMT 2023 , Edited by admin on Sat Dec 16 18:43:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID70864939
Created by admin on Sat Dec 16 18:43:00 GMT 2023 , Edited by admin on Sat Dec 16 18:43:00 GMT 2023
PRIMARY
FDA UNII
T636HYS7CY
Created by admin on Sat Dec 16 18:43:00 GMT 2023 , Edited by admin on Sat Dec 16 18:43:00 GMT 2023
PRIMARY
CAS
1353-10-2
Created by admin on Sat Dec 16 18:43:00 GMT 2023 , Edited by admin on Sat Dec 16 18:43:00 GMT 2023
SUPERSEDED
PUBCHEM
12315492
Created by admin on Sat Dec 16 18:43:00 GMT 2023 , Edited by admin on Sat Dec 16 18:43:00 GMT 2023
PRIMARY
CHEBI
64361
Created by admin on Sat Dec 16 18:43:00 GMT 2023 , Edited by admin on Sat Dec 16 18:43:00 GMT 2023
PRIMARY