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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.BETA.-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-QHGJAOADSA-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-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALLOPREGNAN-20.BETA.-OL-3-ONE ACETATE
MI  
Common Name English
PREGNAN-3-ONE, 20-(ACETYLOXY)-, (5.ALPHA.,20R)-
Systematic Name English
ALLOPREGNAN-20.BETA.-OL-3-ONE ACETATE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m1540
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
5888-07-3
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
EPA CompTox
DTXSID80974376
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
WPA50V1466
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
PUBCHEM
72710629
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