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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34O7
Molecular Weight 446.5333
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17,20,21-TRIHYDROXYPREGN-4-ENE-3,11-DIONE 20,21-DIACETATE, (20R)-

SMILES

CC(=O)OC[C@@H](OC(C)=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

InChI

InChIKey=DCSFDYNORBQIEW-RARQMUBXSA-N
InChI=1S/C25H34O7/c1-14(26)31-13-21(32-15(2)27)25(30)10-8-19-18-6-5-16-11-17(28)7-9-23(16,3)22(18)20(29)12-24(19,25)4/h11,18-19,21-22,30H,5-10,12-13H2,1-4H3/t18-,19-,21+,22+,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-PREGNENE-17.ALPHA.,20.BETA.,21-TRIOL-3,11-DIONE 20,21-DIACETATE
MI  
Preferred Name English
17,20,21-TRIHYDROXYPREGN-4-ENE-3,11-DIONE 20,21-DIACETATE, (20R)-
Common Name English
PREGN-4-EN-3,11-DIONE, 20,21-BIS(ACETYLOXY)-17-HYDROXY-, (20R)-
Systematic Name English
4-PREGNENE-17.ALPHA.,20.BETA.,21-TRIOL-3,11-DIONE 20,21-DIACETATE [MI]
Common Name English
Code System Code Type Description
PUBCHEM
72710641
Created by admin on Mon Mar 31 21:44:46 GMT 2025 , Edited by admin on Mon Mar 31 21:44:46 GMT 2025
PRIMARY
MERCK INDEX
m9119
Created by admin on Mon Mar 31 21:44:46 GMT 2025 , Edited by admin on Mon Mar 31 21:44:46 GMT 2025
PRIMARY Merck Index
CAS
4420-24-0
Created by admin on Mon Mar 31 21:44:46 GMT 2025 , Edited by admin on Mon Mar 31 21:44:46 GMT 2025
PRIMARY
FDA UNII
4AL1U7J3NA
Created by admin on Mon Mar 31 21:44:46 GMT 2025 , Edited by admin on Mon Mar 31 21:44:46 GMT 2025
PRIMARY