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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H40O4
Molecular Weight 404.5827
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOPREGNANE-3.BETA.,20.BETA.-DIOL DIACETATE

SMILES

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

InChI

InChIKey=VDZDKQBSTYNFGG-ILKYCFRXSA-N
InChI=1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3/t15-,18+,19+,20+,21-,22+,23+,24+,25-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALLOPREGNANE-3.BETA.,20.BETA.-DIOL DIACETATE [MI]
Preferred Name English
ALLOPREGNANE-3.BETA.,20.BETA.-DIOL DIACETATE
MI  
Common Name English
PREGNANE-3,20-DIOL, DIACETATE, (3.BETA.,5.ALPHA.,20R)-
Systematic Name English
Code System Code Type Description
CAS
6057-94-9
Created by admin on Mon Mar 31 21:55:29 GMT 2025 , Edited by admin on Mon Mar 31 21:55:29 GMT 2025
PRIMARY
FDA UNII
3N6I9ZE156
Created by admin on Mon Mar 31 21:55:29 GMT 2025 , Edited by admin on Mon Mar 31 21:55:29 GMT 2025
PRIMARY
PUBCHEM
111163
Created by admin on Mon Mar 31 21:55:29 GMT 2025 , Edited by admin on Mon Mar 31 21:55:29 GMT 2025
PRIMARY
MERCK INDEX
m1532
Created by admin on Mon Mar 31 21:55:29 GMT 2025 , Edited by admin on Mon Mar 31 21:55:29 GMT 2025
PRIMARY Merck Index