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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24O3
Molecular Weight 324.4135
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Keto-gestodene

SMILES

[H][C@@]12C=C[C@@](O)(C#C)[C@@]1(CC)CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4C(=O)C[C@@]23[H]

InChI

InChIKey=IUWIMLUFASUSFH-UYNWWRBASA-N
InChI=1S/C21H24O3/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/h2,8,10-11,14-16,18,24H,3,5-7,9,12H2,1H3/t14-,15-,16-,18+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H24O3
Molecular Weight 324.4135
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 Sat Dec 16 20:06:02 GMT 2023
Edited
by admin
on Sat Dec 16 20:06:02 GMT 2023
Record UNII
84ENX69LLV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Keto-gestodene
Common Name English
(1R,3aS,3bR,9aR,9bS,11aS)-11a-ethyl-1-ethynyl-1-hydroxy-1H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-5,7-dione
Systematic Name English
13-ethyl-17-hydroxy-18,19-dinor-17α-pregna-4,15-dien-20-yne-3,6-dione
Systematic Name English
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-2,7,8,9,10,11,12,14-octahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Common Name English
GESTODENE IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
89704398
Created by admin on Sat Dec 16 20:06:02 GMT 2023 , Edited by admin on Sat Dec 16 20:06:02 GMT 2023
PRIMARY
CAS
2143949-52-2
Created by admin on Sat Dec 16 20:06:02 GMT 2023 , Edited by admin on Sat Dec 16 20:06:02 GMT 2023
PRIMARY
FDA UNII
84ENX69LLV
Created by admin on Sat Dec 16 20:06:02 GMT 2023 , Edited by admin on Sat Dec 16 20:06:02 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY