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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 6BETA-HYDROXY DIENOGEST

SMILES

[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC3=C4CCC(=O)C=C4[C@H](O)C[C@@]23[H]

InChI

InChIKey=FBDXOCQJKRWLKV-MTEHYEEQSA-N
InChI=1S/C20H25NO3/c1-19-6-4-14-13-3-2-12(22)10-16(13)18(23)11-15(14)17(19)5-7-20(19,24)8-9-21/h10,15,17-18,23-24H,2-8,11H2,1H3/t15-,17+,18-,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 Thu Jul 06 20:25:05 UTC 2023
Edited
by admin
on Thu Jul 06 20:25:05 UTC 2023
Record UNII
D78LDF8CD2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6BETA-HYDROXY DIENOGEST
Common Name English
DIENOGEST METABOLITE M1
Common Name English
6.BETA.-OH-DIENOGEST
Common Name English
2-((6R,8S,13S,14S,17R)-6,17-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
139024165
Created by admin on Thu Jul 06 20:25:05 UTC 2023 , Edited by admin on Thu Jul 06 20:25:05 UTC 2023
PRIMARY PUBCHEM
FDA UNII
D78LDF8CD2
Created by admin on Thu Jul 06 20:25:05 UTC 2023 , Edited by admin on Thu Jul 06 20:25:05 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE