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 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARISTOLOCHENE, (+)-

SMILES

C[C@H]1CCCC2=CC[C@@H](C[C@]12C)C(C)=C

InChI

InChIKey=YONHOSLUBQJXPR-KCQAQPDRSA-N
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H24
Molecular Weight 204.3511
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:59:31 GMT 2023
Edited
by admin
on Sat Dec 16 17:59:31 GMT 2023
Record UNII
459BG6ZY5H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARISTOLOCHENE, (+)-
Common Name English
NAPHTHALENE, 1,2,3,4,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-, (1S-(1.ALPHA.,7.BETA.,8A.ALPHA.))-
Systematic Name English
NAPHTHALENE, 1,2,3,4,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-, (1S,7S,8AR)-
Systematic Name English
(+)-ARISTOLOCHENE
Common Name English
(1S,7S,8AR)-1,2,3,4,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)NAPHTHALENE
Systematic Name English
Code System Code Type Description
FDA UNII
459BG6ZY5H
Created by admin on Sat Dec 16 17:59:31 GMT 2023 , Edited by admin on Sat Dec 16 17:59:31 GMT 2023
PRIMARY
WIKIPEDIA
Aristolochene
Created by admin on Sat Dec 16 17:59:31 GMT 2023 , Edited by admin on Sat Dec 16 17:59:31 GMT 2023
PRIMARY
CHEBI
43445
Created by admin on Sat Dec 16 17:59:31 GMT 2023 , Edited by admin on Sat Dec 16 17:59:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID90349637
Created by admin on Sat Dec 16 17:59:31 GMT 2023 , Edited by admin on Sat Dec 16 17:59:31 GMT 2023
PRIMARY
CAS
123408-96-8
Created by admin on Sat Dec 16 17:59:31 GMT 2023 , Edited by admin on Sat Dec 16 17:59:31 GMT 2023
PRIMARY
PUBCHEM
656496
Created by admin on Sat Dec 16 17:59:31 GMT 2023 , Edited by admin on Sat Dec 16 17:59:31 GMT 2023
PRIMARY