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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H26O2
Molecular Weight 250.3764
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-CARYOPHYLLENE ALCOHOL FORMATE

SMILES

CC1(C)C[C@H]2[C@H]1CC[C@]3(C)CCC[C@]2(C3)OC=O

InChI

InChIKey=BGEIOYHSLPDHJC-BFJAYTPKSA-N
InChI=1S/C16H26O2/c1-14(2)9-13-12(14)5-8-15(3)6-4-7-16(13,10-15)18-11-17/h11-13H,4-10H2,1-3H3/t12-,13+,15+,16-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CARYOPHYLLENE FORMATE
Preferred Name English
.BETA.-CARYOPHYLLENE ALCOHOL FORMATE
Common Name English
TRICYCLO(6.3.1.02,5)DODECAN-1-OL, 4,4,8-TRIMETHYL-, 1-FORMATE, (1R,2S,5R,8S)-
Systematic Name English
TRICYCLO(6.3.1.02,5)DODECAN-1-OL, 4,4,8-TRIMETHYL-, 1-FORMATE
Common Name English
Code System Code Type Description
PUBCHEM
119057414
Created by admin on Mon Mar 31 22:08:05 GMT 2025 , Edited by admin on Mon Mar 31 22:08:05 GMT 2025
PRIMARY
FDA UNII
6CS460KB0F
Created by admin on Mon Mar 31 22:08:05 GMT 2025 , Edited by admin on Mon Mar 31 22:08:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID50866673
Created by admin on Mon Mar 31 22:08:05 GMT 2025 , Edited by admin on Mon Mar 31 22:08:05 GMT 2025
PRIMARY
ECHA (EC/EINECS)
261-117-2
Created by admin on Mon Mar 31 22:08:05 GMT 2025 , Edited by admin on Mon Mar 31 22:08:05 GMT 2025
PRIMARY
CAS
58096-46-1
Created by admin on Mon Mar 31 22:08:05 GMT 2025 , Edited by admin on Mon Mar 31 22:08:05 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY