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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H35NO4
Molecular Weight 401.539
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.-HYDROXY-20-OXO-17.ALPHA.-PREGN-5-ENE-16.BETA.-CARBOXAMIDE ACETATE

SMILES

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

InChI

InChIKey=PMNLKTAHODQOPP-NKPDLQHQSA-N
InChI=1S/C24H35NO4/c1-13(26)21-18(22(25)28)12-20-17-6-5-15-11-16(29-14(2)27)7-9-23(15,3)19(17)8-10-24(20,21)4/h5,16-21H,6-12H2,1-4H3,(H2,25,28)/t16-,17+,18-,19-,20-,21+,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H35NO4
Molecular Weight 401.539
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 Sat Dec 16 07:09:47 GMT 2023
Edited
by admin
on Sat Dec 16 07:09:47 GMT 2023
Record UNII
82TNW2G329
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3.BETA.-HYDROXY-20-OXO-17.ALPHA.-PREGN-5-ENE-16.BETA.-CARBOXAMIDE ACETATE
Common Name English
NSC-59617
Code English
17.ALPHA.-PREGN-5-ENE-16.BETA.-CARBOXAMIDE, 3.BETA.-HYDROXY-20-OXO-, ACETATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60940877
Created by admin on Sat Dec 16 07:09:47 GMT 2023 , Edited by admin on Sat Dec 16 07:09:47 GMT 2023
PRIMARY
PUBCHEM
71586786
Created by admin on Sat Dec 16 07:09:48 GMT 2023 , Edited by admin on Sat Dec 16 07:09:48 GMT 2023
PRIMARY
FDA UNII
82TNW2G329
Created by admin on Sat Dec 16 07:09:47 GMT 2023 , Edited by admin on Sat Dec 16 07:09:47 GMT 2023
PRIMARY
CAS
1922-36-7
Created by admin on Sat Dec 16 07:09:47 GMT 2023 , Edited by admin on Sat Dec 16 07:09:47 GMT 2023
PRIMARY
NSC
59617
Created by admin on Sat Dec 16 07:09:48 GMT 2023 , Edited by admin on Sat Dec 16 07:09:48 GMT 2023
PRIMARY