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 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3?,5?-Dihydroxy-15?,16?-methylene-androst-6-en-17-one

SMILES

C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]5C[C@@H]5C2=O

InChI

InChIKey=IYCDFUCBUZDDIU-MBYPHNFESA-N
InChI=1S/C20H28O3/c1-18-6-5-15-12(16(18)13-9-14(13)17(18)22)4-8-20(23)10-11(21)3-7-19(15,20)2/h4,8,11-16,21,23H,3,5-7,9-10H2,1-2H3/t11-,12+,13+,14-,15-,16+,18-,19+,20-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3?,5?-Dihydroxy-15?,16?-methylene-androst-6-en-17-one
Systematic Name English
3?,5-Dihydroxy-15?,16?-methylene-5?-androst-6-en-17-one
Preferred Name English
3?H-Cycloprop[15,16]androsta-6,15-dien-17-one, 15,16-dihydro-3,5-dihydroxy-, (3?,5?,15?,16?)-
Systematic Name English
(3?,5?,15?,16?)-15,16-Dihydro-3,5-dihydroxy-3?H-cycloprop[15,16]androsta-6,15-dien-17-one
Systematic Name English
(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-2,10a-dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one
Systematic Name English
Code System Code Type Description
CAS
82543-15-5
Created by admin on Wed Apr 02 20:47:56 GMT 2025 , Edited by admin on Wed Apr 02 20:47:56 GMT 2025
PRIMARY
PUBCHEM
13075974
Created by admin on Wed Apr 02 20:47:56 GMT 2025 , Edited by admin on Wed Apr 02 20:47:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID60517427
Created by admin on Wed Apr 02 20:47:56 GMT 2025 , Edited by admin on Wed Apr 02 20:47:56 GMT 2025
PRIMARY
FDA UNII
PXL3EE6HH6
Created by admin on Wed Apr 02 20:47:56 GMT 2025 , Edited by admin on Wed Apr 02 20:47:56 GMT 2025
PRIMARY