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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25NO3
Molecular Weight 327.4174
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1ALPHA-HYDROXY DIENOGEST

SMILES

[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC3=C4[C@@H](O)CC(=O)C=C4CC[C@@]23[H]

InChI

InChIKey=ZDPYSWYZLVZMSJ-MTMXWMHZSA-N
InChI=1S/C20H25NO3/c1-19-6-4-15-14(16(19)5-7-20(19,24)8-9-21)3-2-12-10-13(22)11-17(23)18(12)15/h10,14,16-17,23-24H,2-8,11H2,1H3/t14-,16+,17+,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H25NO3
Molecular Weight 327.4174
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:28:53 GMT 2023
Edited
by admin
on Sat Dec 16 14:28:53 GMT 2023
Record UNII
WK94F45MEH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1ALPHA-HYDROXY DIENOGEST
Common Name English
DIENOGEST METABOLITE M2
Common Name English
1.ALPHA.-OH-DIENOGEST
Common Name English
2-((1S,8S,13S,14S,17R)-1,17-DIHYDROXY-13-METHYL-3-OXO-1,2,6,7,8,11,12,14,15,16-DECAHYDROCYCLOPENTA(A)PHENANTHREN-17-YL)ACETONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
155804677
Created by admin on Sat Dec 16 14:28:53 GMT 2023 , Edited by admin on Sat Dec 16 14:28:53 GMT 2023
PRIMARY PUBCHEM
FDA UNII
WK94F45MEH
Created by admin on Sat Dec 16 14:28:53 GMT 2023 , Edited by admin on Sat Dec 16 14:28:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE