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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H33NO2
Molecular Weight 355.5136
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CYANO-17.ALPHA.-METHYL-17.BETA.-ACETOXY-5.ALPHA.-ANDROST-2-ENE

SMILES

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

InChI

InChIKey=YYANZNRFIPNNDK-OWNQEUAMSA-N
InChI=1S/C23H33NO2/c1-15(25)26-23(4)12-10-20-18-8-7-17-6-5-16(14-24)13-21(17,2)19(18)9-11-22(20,23)3/h5,17-20H,6-13H2,1-4H3/t17-,18-,19+,20+,21+,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H33NO2
Molecular Weight 355.5136
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 Sat Dec 16 10:37:14 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:14 GMT 2023
Record UNII
B7Z5I56NRT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CYANO-17.ALPHA.-METHYL-17.BETA.-ACETOXY-5.ALPHA.-ANDROST-2-ENE
Systematic Name English
ANDROST-2-ENE-2-CARBONITRILE, 17-(ACETYLOXY)-17-METHYL-, (5.ALPHA.,17.BETA.)-
Systematic Name English
5.ALPHA.-ANDROST-2-ENE-2-CARBONITRILE, 17.BETA.-HYDROXY-17-METHYL-, ACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
B7Z5I56NRT
Created by admin on Sat Dec 16 10:37:14 GMT 2023 , Edited by admin on Sat Dec 16 10:37:14 GMT 2023
PRIMARY
CAS
1101-60-6
Created by admin on Sat Dec 16 10:37:14 GMT 2023 , Edited by admin on Sat Dec 16 10:37:14 GMT 2023
PRIMARY
PUBCHEM
112500379
Created by admin on Sat Dec 16 10:37:14 GMT 2023 , Edited by admin on Sat Dec 16 10:37:14 GMT 2023
PRIMARY