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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H29NO
Molecular Weight 299.4504
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.BETA.-HYDROXY-5.ALPHA.-ANDROST-2-ENE-2-CARBONITRILE

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=C(C[C@]34C)C#N)[C@@H]1CC[C@@H]2O

InChI

InChIKey=WAYOXMHWDMAJDN-WDCLZLQXSA-N
InChI=1S/C20H29NO/c1-19-10-9-17-15(16(19)7-8-18(19)22)6-5-14-4-3-13(12-21)11-20(14,17)2/h3,14-18,22H,4-11H2,1-2H3/t14-,15+,16+,17+,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H29NO
Molecular Weight 299.4504
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 Mon Mar 31 23:02:18 GMT 2025
Edited
by admin
on Mon Mar 31 23:02:18 GMT 2025
Record UNII
I170X0F1RU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17.BETA.-HYDROXY-5.ALPHA.-ANDROST-2-ENE-2-CARBONITRILE
Systematic Name English
5-ALPHA-ANDROST-2-ENE-2-CARBONITRILE, 17-BETA-HYDROXY-
Preferred Name English
5.ALPHA.-ANDROST-2-ENE-2-CARBONITRILE, 17.BETA.-HYDROXY-
Systematic Name English
Code System Code Type Description
CAS
1093-60-3
Created by admin on Mon Mar 31 23:02:18 GMT 2025 , Edited by admin on Mon Mar 31 23:02:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID70911093
Created by admin on Mon Mar 31 23:02:18 GMT 2025 , Edited by admin on Mon Mar 31 23:02:18 GMT 2025
PRIMARY
FDA UNII
I170X0F1RU
Created by admin on Mon Mar 31 23:02:18 GMT 2025 , Edited by admin on Mon Mar 31 23:02:18 GMT 2025
PRIMARY
PUBCHEM
14178
Created by admin on Mon Mar 31 23:02:18 GMT 2025 , Edited by admin on Mon Mar 31 23:02:18 GMT 2025
PRIMARY
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