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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O2
Molecular Weight 312.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 13-ETHYL-17-HYDROXY-18,19-DINOR-17.ALPHA.-PREGN-5(10)-EN-20-YN-3-ONE

SMILES

CC[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@@]2(O)C#C

InChI

InChIKey=QCMLVDXPKCBMFQ-MJCUULBUSA-N
InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,17-19,23H,3,5-13H2,1H3/t17-,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28O2
Molecular Weight 312.4458
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 Wed Apr 02 01:27:32 GMT 2025
Edited
by admin
on Wed Apr 02 01:27:32 GMT 2025
Record UNII
E8SU3M53QV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEVONOREGESTREL IMPURITY B [EP IMPURITY]
Preferred Name English
13-ETHYL-17-HYDROXY-18,19-DINOR-17.ALPHA.-PREGN-5(10)-EN-20-YN-3-ONE
Systematic Name English
(17.ALPHA.)-13-ETHYL-17-HYDROXY-18,19-DINORPREGN-5(10)-EN-20-YN-3-ONE
Systematic Name English
18,19-DINORPREGN-5(10)-EN-20-YN-3-ONE, 13-ETHYL-17-HYDROXY-, (17.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
19914-67-1
Created by admin on Wed Apr 02 01:27:32 GMT 2025 , Edited by admin on Wed Apr 02 01:27:32 GMT 2025
PRIMARY
PUBCHEM
29979902
Created by admin on Wed Apr 02 01:27:32 GMT 2025 , Edited by admin on Wed Apr 02 01:27:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID80652581
Created by admin on Wed Apr 02 01:27:32 GMT 2025 , Edited by admin on Wed Apr 02 01:27:32 GMT 2025
PRIMARY
FDA UNII
E8SU3M53QV
Created by admin on Wed Apr 02 01:27:32 GMT 2025 , Edited by admin on Wed Apr 02 01:27:32 GMT 2025
PRIMARY
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PARENT -> IMPURITY
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EP