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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H31NO2
Molecular Weight 341.487
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 ACETATE

SMILES

[H][C@@]12CC[C@H](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=ULASRWHCGMEOFO-BHXFFAOXSA-N
InChI=1S/C22H31NO2/c1-14(24)25-20-9-8-18-17-7-6-16-5-4-15(13-23)12-22(16,3)19(17)10-11-21(18,20)2/h4,16-20H,5-12H2,1-3H3/t16-,17+,18+,19+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H31NO2
Molecular Weight 341.487
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 Fri Dec 15 14:57:48 GMT 2023
Edited
by admin
on Fri Dec 15 14:57:48 GMT 2023
Record UNII
SP6200FMG6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17.BETA.-HYDROXY-5.ALPHA.-ANDROST-2-ENE-2-CARBONITRILE ACETATE
Systematic Name English
5.ALPHA.-ANDROST-2-ENE-2-CARBONITRILE, 17.BETA.-HYDROXY-, ACETATE
Common Name English
ANDROST-2-ENE-2-CARBONITRILE, 17-(ACETYLOXY)-, (5.ALPHA.,17.BETA.)-
Systematic Name English
NSC-82484
Code English
Code System Code Type Description
PUBCHEM
256135
Created by admin on Fri Dec 15 14:57:48 GMT 2023 , Edited by admin on Fri Dec 15 14:57:48 GMT 2023
PRIMARY
NSC
82484
Created by admin on Fri Dec 15 14:57:48 GMT 2023 , Edited by admin on Fri Dec 15 14:57:48 GMT 2023
PRIMARY
CAS
1431-84-1
Created by admin on Fri Dec 15 14:57:48 GMT 2023 , Edited by admin on Fri Dec 15 14:57:48 GMT 2023
PRIMARY
FDA UNII
SP6200FMG6
Created by admin on Fri Dec 15 14:57:48 GMT 2023 , Edited by admin on Fri Dec 15 14:57:48 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> DERIVATIVE