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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H36O3
Molecular Weight 360.5301
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOPREGNAN-20.ALPHA.-OL-3-ONE ACETATE

SMILES

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

InChI

InChIKey=OCALFWPYWJWRRG-DXPSHRSCSA-N
InChI=1S/C23H36O3/c1-14(26-15(2)24)19-7-8-20-18-6-5-16-13-17(25)9-11-22(16,3)21(18)10-12-23(19,20)4/h14,16,18-21H,5-13H2,1-4H3/t14-,16-,18-,19+,20-,21-,22-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H36O3
Molecular Weight 360.5301
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 09:16:52 GMT 2023
Edited
by admin
on Sat Dec 16 09:16:52 GMT 2023
Record UNII
1K7TA6AS47
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLOPREGNAN-20.ALPHA.-OL-3-ONE ACETATE
MI  
Common Name English
ALLOPREGNAN-20.ALPHA.-OL-3-ONE ACETATE [MI]
Common Name English
PREGNAN-3-ONE, 20-HYDROXY-, (5.ALPHA.,20R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
72710630
Created by admin on Sat Dec 16 09:16:52 GMT 2023 , Edited by admin on Sat Dec 16 09:16:52 GMT 2023
PRIMARY
MERCK INDEX
m1539
Created by admin on Sat Dec 16 09:16:52 GMT 2023 , Edited by admin on Sat Dec 16 09:16:52 GMT 2023
PRIMARY Merck Index
CAS
6010-88-4
Created by admin on Sat Dec 16 09:16:52 GMT 2023 , Edited by admin on Sat Dec 16 09:16:52 GMT 2023
PRIMARY
FDA UNII
1K7TA6AS47
Created by admin on Sat Dec 16 09:16:52 GMT 2023 , Edited by admin on Sat Dec 16 09:16:52 GMT 2023
PRIMARY