 Home > Encyclopedia > (3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-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]phenanthrene-3,7-diol

(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-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]phenanthrene-3,7-diol

(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-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]phenanthrene-3,7-diol structure

CAS No:
61088-54-8
Formula:
C27H48O3
Chemical Name:
(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-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]phenanthrene-3,7-diol
Synonyms:
5alpha-cholestane-3alpha,7alpha,25-triol;5beta-cholestane-3beta,7alpha,25-triol;C-3,7,25-T;cholestane-3,7,25-triol;cholestane-3,7,25-triol, (3alpha,5beta,7alpha)-isomer;Cholestane-3,7,25-triol;5alpha-Cholestane-3alpha,7alpha,25-triol;61088-54-8;C-3,7,25-T;DTXSID10976585;LMST04030090;Cholestane-3,7,25-triol, (3alpha,5alpha,7alpha)-

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(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-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]phenanthrene-3,7-diol Basic Attributes

Molecular Weight：

420.7 g/mol

Exact Mass：

420.36034539 g/mol

Characteristics

PSA：

60.7 Å²

XLogP3：

5.5543

Melting Point：

197 - 198 °C (methanol)

Drug Information

MeSH Entry Terms：

5alpha-cholestane-3alpha,7alpha,25-triol

(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-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]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:420.7
XLogP3:6.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:420.36034539
Monoisotopic Mass:420.36034539
Topological Polar Surface Area:60.7
Heavy Atom Count:30
Complexity:617
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: p-xylene; copper sulfide compound; ipa structure; malachite green; strem chemicals; barium sulfate formula

Guide of (3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-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]phenanthrene-3,7-diol

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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