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Structure

5β-Pregnan-3α,20α-diol diacetate

CAS
1174-69-2
Catalog Number
ACM1174692
Category
Steroidal Compounds
Molecular Weight
404.58
Molecular Formula
C25H40O4

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Specification

Synonyms
(20S)-5-beta-pregnane-3alpha,20-diol diacetate;5b-Pregnane-3a-20a-DiolDiacetate;Einecs 214-637-9
IUPAC Name
[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate
Canonical SMILES
CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)OC(=O)C
InChI Key
VDZDKQBSTYNFGG-BNPPXZMESA-N
Boiling Point
461.8ºC at 760mmHg
Flash Point
218.5ºC
Density
1.08g/cm³
EC Number
214-637-9
Exact Mass
404.29300
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