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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26O3
Molecular Weight 326.4293
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6β-Hydroxy-gestodene

SMILES

[H][C@@]12C=C[C@@](O)(C#C)[C@@]1(CC)CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4[C@H](O)C[C@@]23[H]

InChI

InChIKey=JCWGEBKVGXGDSI-JUYLZWBTSA-N
InChI=1S/C21H26O3/c1-3-20-9-7-15-14-6-5-13(22)11-17(14)19(23)12-16(15)18(20)8-10-21(20,24)4-2/h2,8,10-11,14-16,18-19,23-24H,3,5-7,9,12H2,1H3/t14-,15-,16-,18+,19-,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H26O3
Molecular Weight 326.4293
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 Sat Dec 16 20:01:23 GMT 2023
Edited
by admin
on Sat Dec 16 20:01:23 GMT 2023
Record UNII
W6LP24XA9Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6β-Hydroxy-gestodene
Common Name English
GESTODENE IMPURITY D [EP IMPURITY]
Common Name English
(6R,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-6,17-dihydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
Systematic Name English
13-ethyl-6β,17-dihydroxy-18,19-dinor-17α-pregna-4,15-dien-20-yn-3-one
Systematic Name English
Code System Code Type Description
FDA UNII
W6LP24XA9Y
Created by admin on Sat Dec 16 20:01:23 GMT 2023 , Edited by admin on Sat Dec 16 20:01:23 GMT 2023
PRIMARY
PUBCHEM
89704395
Created by admin on Sat Dec 16 20:01:23 GMT 2023 , Edited by admin on Sat Dec 16 20:01:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY