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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19NO2
Molecular Weight 221.2955
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIOSCORINE

SMILES

CN1C[C@H]2CC[C@@H]1C[C@@]23CC(C)=CC(=O)O3

InChI

InChIKey=YBQKKTNDAXVYGX-WZRBSPASSA-N
InChI=1S/C13H19NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h5,10-11H,3-4,6-8H2,1-2H3/t10-,11-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H19NO2
Molecular Weight 221.2955
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Q4HFK9JJ1M
Record Status Validated (UNII)
Record Version