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

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

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

CAS No:
72843-39-1
Formula:
C27H48O2
Chemical Name:
(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms:
5 beta-cholestane-3 alpha,27-diol;cholestane-3,27-diol;cholestane-3,27-diol, (3beta,5alpha,25S)-isomer;5beta-Cholestane-3alpha,26-diol;72843-39-1;cholestane-3,26-diol;Cholestane-3,27-diol;5beta-Cholestane-3alpha,27-diol;DTXSID70993637;LMST04030121;3alpha,26-Dihydroxy-5beta-cholestane;Cholestane-3,26-diol, (3alpha,5beta)-

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

Molecular Weight：

404.7 g/mol

Exact Mass：

404.365430770 g/mol

Characteristics

PSA：

40.5 Å²

Drug Information

MeSH Entry Terms：

5 beta-cholestane-3 alpha,27-diol

(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol 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:404.7
XLogP3:8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:404.365430770
Monoisotopic Mass:404.365430770
Topological Polar Surface Area:40.5
Heavy Atom Count:29
Complexity:561
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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