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Structure

5β-Pregnan-3α,17,20β-triol

CAS
1165-28-2
Catalog Number
ACM1165282
Category
Steroidal Compounds
Molecular Weight
336.5
Molecular Formula
C21H36O3

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Specification

Synonyms
5B-PREGNANE-3A-17A-20B-TRIOL*CRYSTALLINE;(20R)-5beta-pregnane-3alpha,17,20-triol;3ALPHA,17ALPHA,20B-Trihydroxy-5B-pregnane;(20R)-5β-Pregnane-3α,17,20-triol;(20R)-5β-Pregnane-3α,17α,20-triol;allo-Pregnan-3,17,20β-triol;Allopregnan-3,17,20β-triol;(3R,5R,8R
IUPAC Name
(3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Canonical SMILES
CC(C1(CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O
InChI Key
SCPADBBISMMJAW-OYMMSLOLSA-N
Boiling Point
469.9ºC at 760mmHg
Flash Point
208.2ºC
Density
1.123g/cm³
EC Number
214-614-3
Exact Mass
336.26600
H-Bond Acceptor
3
H-Bond Donor
3
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