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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H28O2
Molecular Weight 264.403
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

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

SMILES

[H][C@]12CC(C)(C)[C@]1([H])CC[C@]3(C)CCC[C@]2(C3)OC(C)=O

InChI

InChIKey=SJDDHMSVZMBJPH-YQFWSFKMSA-N
InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3/t13-,14+,16+,17-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.BETA.-CARYOPHYLLENE ALCOHOL ACETATE
Common Name English
CARYOPHYLLENE ACETATE
Common Name English
TRICYCLO(6.3.1.02,5)DODECAN-1-OL, 4,4,8-TRIMETHYL-, 1-ACETATE, (1R,2S,5R,8S)-
Systematic Name English
TRICYCLO(6.3.1.02,5)DODECAN-1-OL, 4,4,8-TRIMETHYL-, ACETATE, (1R-(1.ALPHA.,2.ALPHA.,5.BETA.,8.BETA.))-
Systematic Name English
BETA-CARYOPHYLLENE ALCOHOL ACETATE
Common Name English
.BETA.-CARYOPHYLLENE ALCOHOL ACETATE, (+)-
Common Name English
Code System Code Type Description
FDA UNII
07YBE5FZ9M
Created by admin on Sat Dec 16 09:08:30 GMT 2023 , Edited by admin on Sat Dec 16 09:08:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID2052233
Created by admin on Sat Dec 16 09:08:30 GMT 2023 , Edited by admin on Sat Dec 16 09:08:30 GMT 2023
PRIMARY
CAS
57082-24-3
Created by admin on Sat Dec 16 09:08:30 GMT 2023 , Edited by admin on Sat Dec 16 09:08:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
260-555-1
Created by admin on Sat Dec 16 09:08:30 GMT 2023 , Edited by admin on Sat Dec 16 09:08:30 GMT 2023
PRIMARY
PUBCHEM
90473619
Created by admin on Sat Dec 16 09:08:30 GMT 2023 , Edited by admin on Sat Dec 16 09:08:30 GMT 2023
PRIMARY