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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22
Molecular Weight 202.3352
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALAMENENE, TRANS-(+)-

SMILES

CC(C)[C@H]1CC[C@H](C)C2=CC=C(C)C=C12

InChI

InChIKey=PGTJIOWQJWHTJJ-QWHCGFSZSA-N
InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H22
Molecular Weight 202.3352
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 14:27:46 GMT 2023
Edited
by admin
on Sat Dec 16 14:27:46 GMT 2023
Record UNII
XCK5IBT7TK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALAMENENE, TRANS-(+)-
Common Name English
NAPHTHALENE, 1,2,3,4-TETRAHYDRO-1,6-DIMETHYL-4-(1-METHYLETHYL)-, (1S,4R)-
Systematic Name English
(+)-TRANS-CALAMENENE
Common Name English
Code System Code Type Description
CAS
40772-39-2
Created by admin on Sat Dec 16 14:27:46 GMT 2023 , Edited by admin on Sat Dec 16 14:27:46 GMT 2023
PRIMARY
PUBCHEM
6429022
Created by admin on Sat Dec 16 14:27:46 GMT 2023 , Edited by admin on Sat Dec 16 14:27:46 GMT 2023
PRIMARY
FDA UNII
XCK5IBT7TK
Created by admin on Sat Dec 16 14:27:46 GMT 2023 , Edited by admin on Sat Dec 16 14:27:46 GMT 2023
PRIMARY