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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34O5
Molecular Weight 390.5131
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.,17-DIHYDROXY-5.ALPHA.-PREGNANE-11,20-DIONE 3-ACETATE

SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC(=O)[C@H]23)C1

InChI

InChIKey=RSBZZVJLNTXCGU-FEQOUAIHSA-N
InChI=1S/C23H34O5/c1-13(24)23(27)10-8-18-17-6-5-15-11-16(28-14(2)25)7-9-21(15,3)20(17)19(26)12-22(18,23)4/h15-18,20,27H,5-12H2,1-4H3/t15-,16-,17-,18-,20+,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
C15404
Preferred Name English
3.BETA.,17-DIHYDROXY-5.ALPHA.-PREGNANE-11,20-DIONE 3-ACETATE
Systematic Name English
5.ALPHA.-PREGNANE-11,20-DIONE, 3.BETA.,17-DIHYDROXY-, 3-ACETATE
Systematic Name English
NSC-53902
Code English
5ALPHA-PREGNAN-3BETA,17-DIOL-11,20-DIONE 3-ACETATE
Common Name English
((3S,5S,8S,9S,10S,13S,14S,17R)-17-ACETYL-17-HYDROXY-10,13-DIMETHYL-11-OXO-2,3,4,5,6,7,8,9,12,14,15,16-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-YL) ACETATE
Systematic Name English
3.BETA.-ACETOXY-17-HYDROXY-5.ALPHA.-PREGNANE-11,20-DIONE
Systematic Name English
J2.794.375F
Code English
Code System Code Type Description
NSC
53902
Created by admin on Mon Mar 31 22:00:48 GMT 2025 , Edited by admin on Mon Mar 31 22:00:48 GMT 2025
PRIMARY
CAS
7253-11-4
Created by admin on Mon Mar 31 22:00:48 GMT 2025 , Edited by admin on Mon Mar 31 22:00:48 GMT 2025
PRIMARY
PUBCHEM
243755
Created by admin on Mon Mar 31 22:00:48 GMT 2025 , Edited by admin on Mon Mar 31 22:00:48 GMT 2025
PRIMARY
FDA UNII
127H229L5U
Created by admin on Mon Mar 31 22:00:48 GMT 2025 , Edited by admin on Mon Mar 31 22:00:48 GMT 2025
PRIMARY