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Structure

5β-Pregnan-3α,20β-diol

CAS
80-91-1
Catalog Number
ACM80911
Category
Steroidal Compounds
Molecular Weight
320.51
Molecular Formula
C21H36O2

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Specification

Synonyms
(3-alpha,5-beta,20r)-pregnane-20-diol;3-alpha,20-beta-dihydroxy-5-beta-pregnan;3-alpha,20-beta-dihydroxy-5-beta-pregnane;5-beta-pregnane-3-alpha,20-beta-diol;pregnanediolv;5-BETA-PREGNAN-3-ALPHA, 20-BETA-DIOL;5B-pregnane-3A-20B-diol;3ALPHA,20B-Dihydroxy-
IUPAC Name
(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES
CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O
InChI Key
YWYQTGBBEZQBGO-OQOYYRQQSA-N
Boiling Point
435.9ºC at 760 mmHg
Flash Point
191ºC
Density
1.053g/cm³
EC Number
201-313-7
Exact Mass
320.27200
H-Bond Acceptor
2
H-Bond Donor
2
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