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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26O
Molecular Weight 306.4412
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ETHYNYL-19-NOR-17.ALPHA.-PREGNA-3,5-DIEN-20-YN-17-OL

SMILES

C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@H]34)C#C)[C@@H]1CC[C@@]2(O)C#C

InChI

InChIKey=VEQVHOSVAUDALB-ZCPXKWAGSA-N
InChI=1S/C22H26O/c1-4-15-6-8-17-16(14-15)7-9-19-18(17)10-12-21(3)20(19)11-13-22(21,23)5-2/h1-2,7,14,17-20,23H,6,8-13H2,3H3/t17-,18+,19+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H26O
Molecular Weight 306.4412
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 Mon Mar 31 23:34:59 GMT 2025
Edited
by admin
on Mon Mar 31 23:34:59 GMT 2025
Record UNII
EAR66HV99L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ETHYNYL-19-NOR-17.ALPHA.-PREGNA-3,5-DIEN-20-YN-17-OL
Systematic Name English
NORETHISTERONE IMPURITY E [EP IMPURITY]
Preferred Name English
19-NORPREGNA-3,5-DIEN-20-YN-17-OL, 3-ETHYNYL-, (17.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71316678
Created by admin on Mon Mar 31 23:34:59 GMT 2025 , Edited by admin on Mon Mar 31 23:34:59 GMT 2025
PRIMARY
CAS
79727-03-0
Created by admin on Mon Mar 31 23:34:59 GMT 2025 , Edited by admin on Mon Mar 31 23:34:59 GMT 2025
PRIMARY
FDA UNII
EAR66HV99L
Created by admin on Mon Mar 31 23:34:59 GMT 2025 , Edited by admin on Mon Mar 31 23:34:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID50747776
Created by admin on Mon Mar 31 23:34:59 GMT 2025 , Edited by admin on Mon Mar 31 23:34:59 GMT 2025
PRIMARY
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