 Home > Encyclopedia > (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol structure

CAS No:
107088-80-2
Formula:
C27H48O4
Chemical Name:
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Synonyms:
5 beta-cholestane-3 alpha,7 alpha,26,27-tetrol;cholestane-3,7,26,27-tetrol;Cholestane-3,7,26,27-tetrol;5beta-Cholestane-3alpha,7alpha,26,27-tetrol;107088-80-2;LMST04030025;SCHEMBL16226450;DTXSID00910231;(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol;5beta-Cholestane-3alpha,7alpha,26,27-tetraol

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(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol Basic Attributes

Molecular Weight：

436.7 g/mol

Exact Mass：

436.35526001 g/mol

Characteristics

PSA：

80.9 Å²

Drug Information

MeSH Entry Terms：

5 beta-cholestane-3 alpha,7 alpha,26,27-tetrol

(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol Use and Manufacturing

Use Classification：

Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C27 bile acids, alcohols, and derivatives [ST0403]

Computed Properties

Molecular Weight:436.7
XLogP3:5.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:436.35526001
Monoisotopic Mass:436.35526001
Topological Polar Surface Area:80.9
Heavy Atom Count:31
Complexity:606
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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