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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O3
Molecular Weight 316.4345
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9,11-EPOXY-17-HYDROXY-17-METHYLANDROST-4-EN-3-ONE, (9.BETA.,11.BETA.,17.BETA.)-

SMILES

[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@@H]3O[C@]34[C@@]2([H])CCC5=CC(=O)CC[C@]45C

InChI

InChIKey=BJYNFFFDYZKDTE-NPBKEMFKSA-N
InChI=1S/C20H28O3/c1-17-8-6-13(21)10-12(17)4-5-15-14-7-9-19(3,22)18(14,2)11-16-20(15,17)23-16/h10,14-16,22H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20+/m0/s1

HIDE SMILES / InChI

Approval Year