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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28O3
Molecular Weight 340.4559
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (17.ALPHA.)-17-(ACETYLOXY)-19-NORPREGN-5(10)-EN-20-YN-3-ONE

SMILES

[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])CC(=O)CC4

InChI

InChIKey=PKMFOAKNKZEDBU-AANPDWTMSA-N
InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,18-20H,5-13H2,2-3H3/t18-,19-,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H28O3
Molecular Weight 340.4559
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 17:19:00 GMT 2023
Edited
by admin
on Sat Dec 16 17:19:00 GMT 2023
Record UNII
50UR8DXV14
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(17.ALPHA.)-17-(ACETYLOXY)-19-NORPREGN-5(10)-EN-20-YN-3-ONE
Systematic Name English
NORETHISTERONE ACETATE IMPURITY B [EP IMPURITY]
Common Name English
3-OXO-19-NOR-17.ALPHA.-PREGN-5(10)-EN-20-YN-17-YL ACETATE
Systematic Name English
19-NORPREGN-5(10)-EN-20-YN-3-ONE, 17-(ACETYLOXY)-, (17.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
19637-28-6
Created by admin on Sat Dec 16 17:19:00 GMT 2023 , Edited by admin on Sat Dec 16 17:19:00 GMT 2023
PRIMARY
FDA UNII
50UR8DXV14
Created by admin on Sat Dec 16 17:19:00 GMT 2023 , Edited by admin on Sat Dec 16 17:19:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID20709684
Created by admin on Sat Dec 16 17:19:00 GMT 2023 , Edited by admin on Sat Dec 16 17:19:00 GMT 2023
PRIMARY
PUBCHEM
54193985
Created by admin on Sat Dec 16 17:19:00 GMT 2023 , Edited by admin on Sat Dec 16 17:19:00 GMT 2023
PRIMARY
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EP