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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O3
Molecular Weight 318.4504
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 19-Nor-17?-pregn-4-en-3-one, 17,21-dihydroxy-

SMILES

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

InChI

InChIKey=NWEGCXCYAUNOPR-JBKQDOAHSA-N
InChI=1S/C20H30O3/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,15-18,21,23H,2-11H2,1H3/t15-,16+,17+,18-,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H30O3
Molecular Weight 318.4504
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:21:23 GMT 2025
Edited
by admin
on Tue Apr 01 16:21:23 GMT 2025
Record UNII
R9DK5WYU3T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
19-Norpregn-4-en-3-one, 17,21-dihydroxy-, (17?)-
Preferred Name English
19-Nor-17?-pregn-4-en-3-one, 17,21-dihydroxy-
Common Name English
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyethyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Systematic Name English
Code System Code Type Description
CAS
2436-31-9
Created by admin on Tue Apr 01 16:21:23 GMT 2025 , Edited by admin on Tue Apr 01 16:21:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID50179098
Created by admin on Tue Apr 01 16:21:23 GMT 2025 , Edited by admin on Tue Apr 01 16:21:23 GMT 2025
PRIMARY
PUBCHEM
21126969
Created by admin on Tue Apr 01 16:21:23 GMT 2025 , Edited by admin on Tue Apr 01 16:21:23 GMT 2025
PRIMARY
FDA UNII
R9DK5WYU3T
Created by admin on Tue Apr 01 16:21:23 GMT 2025 , Edited by admin on Tue Apr 01 16:21:23 GMT 2025
PRIMARY