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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32O5
Molecular Weight 376.4865
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.BETA.,17.ALPHA.-DIHYDROXY-21-METHOXY-4-PREGNENE-3,20-DIONE

SMILES

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

InChI

InChIKey=CWPLHARQWLJCLY-CWNVBEKCSA-N
InChI=1S/C22H32O5/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(26,18(25)12-27-3)21(16,2)11-17(24)19(15)20/h10,15-17,19,24,26H,4-9,11-12H2,1-3H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PREGN-4-ENE-3,20-DIONE, 11.BETA.,17-DIHYDROXY-21-METHOXY-
Preferred Name English
11.BETA.,17.ALPHA.-DIHYDROXY-21-METHOXY-4-PREGNENE-3,20-DIONE
Common Name English
Code System Code Type Description
FDA UNII
90M35NEO6Y
Created by admin on Mon Mar 31 17:57:02 GMT 2025 , Edited by admin on Mon Mar 31 17:57:02 GMT 2025
PRIMARY
PUBCHEM
22789984
Created by admin on Mon Mar 31 17:57:02 GMT 2025 , Edited by admin on Mon Mar 31 17:57:02 GMT 2025
PRIMARY
CAS
96066-73-8
Created by admin on Mon Mar 31 17:57:02 GMT 2025 , Edited by admin on Mon Mar 31 17:57:02 GMT 2025
PRIMARY