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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H14
Molecular Weight 254.3252
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLANTHRENE

SMILES

C1CC2=C3C=CC4=C(C=CC=C4)C3=CC5=CC=CC1=C25

InChI

InChIKey=KVFJBIQWENJTDM-UHFFFAOYSA-N
InChI=1S/C20H14/c1-2-7-16-13(4-1)8-10-17-18-11-9-14-5-3-6-15(20(14)18)12-19(16)17/h1-8,10,12H,9,11H2

HIDE SMILES / InChI

Molecular Formula C20H14
Molecular Weight 254.3252
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
429L45KABE
Record Status Validated (UNII)
Record Version