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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O2
Molecular Weight 316.4776
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ETHYNYLANDROSTANE-3,17-DIOL, (3.BETA.,5.ALPHA.,17.BETA.)-

SMILES

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

InChI

InChIKey=FOCZFVYLRBKYGM-QKSWPAOXSA-N
InChI=1S/C21H32O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15-,16-,17-,18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32O2
Molecular Weight 316.4776
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:24:10 GMT 2025
Edited
by admin
on Mon Mar 31 21:24:10 GMT 2025
Record UNII
8F401212RO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ETHYNYLANDROSTANE-3,17-DIOL, (3.BETA.,5.ALPHA.,17.BETA.)-
Systematic Name English
NSC-52250
Preferred Name English
3.ALPHA.-ETHYNYL-5.ALPHA.-ANDROSTANE-3.BETA.,17.BETA.-DIOL
Common Name English
ANDROSTANE-3,17-DIOL, 3-ETHYNYL-, (3.BETA.,5.ALPHA.,17.BETA.)-
Common Name English
3-ETHYNYL-5.ALPHA.-ANDROSTANE-3.BETA.,17.BETA.-DIOL
Common Name English
5.ALPHA.-ANDROSTANE-3.BETA.,17.BETA.-DIOL, 3-ETHYNYL-
Common Name English
Code System Code Type Description
NSC
52250
Created by admin on Mon Mar 31 21:24:10 GMT 2025 , Edited by admin on Mon Mar 31 21:24:10 GMT 2025
PRIMARY
FDA UNII
8F401212RO
Created by admin on Mon Mar 31 21:24:10 GMT 2025 , Edited by admin on Mon Mar 31 21:24:10 GMT 2025
PRIMARY
PUBCHEM
243051
Created by admin on Mon Mar 31 21:24:10 GMT 2025 , Edited by admin on Mon Mar 31 21:24:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID00143946
Created by admin on Mon Mar 31 21:24:10 GMT 2025 , Edited by admin on Mon Mar 31 21:24:10 GMT 2025
PRIMARY
CAS
10148-98-8
Created by admin on Mon Mar 31 21:24:10 GMT 2025 , Edited by admin on Mon Mar 31 21:24:10 GMT 2025
PRIMARY