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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O4
Molecular Weight 346.4605
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-PREGNENE-20,21-DIOL-3,11-DIONE, (20R)-

SMILES

C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@H](O)CO

InChI

InChIKey=UJDLFLAJWMSLEB-GVTHINQKSA-N
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,18-19,22,25H,3-8,10-11H2,1-2H3/t14-,15-,16+,18-,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H30O4
Molecular Weight 346.4605
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:45:18 GMT 2025
Edited
by admin
on Mon Mar 31 22:45:18 GMT 2025
Record UNII
7J3A0YK2NA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-PREGNENE-20,21-DIOL-3,11-DIONE, (20R)-
Common Name English
PREGN-4-ENE-3,11-DIONE, 20,21-DIHYDROXY-, (20R)-
Preferred Name English
PREGN-4-ENE-3,11-DIONE, 20.ALPHA.,21-DIHYDROXY-
Systematic Name English
Code System Code Type Description
CAS
600-69-1
Created by admin on Mon Mar 31 22:45:18 GMT 2025 , Edited by admin on Mon Mar 31 22:45:18 GMT 2025
PRIMARY
FDA UNII
7J3A0YK2NA
Created by admin on Mon Mar 31 22:45:18 GMT 2025 , Edited by admin on Mon Mar 31 22:45:18 GMT 2025
PRIMARY
PUBCHEM
13367709
Created by admin on Mon Mar 31 22:45:18 GMT 2025 , Edited by admin on Mon Mar 31 22:45:18 GMT 2025
PRIMARY