 Home > Encyclopedia > (3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethylspiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-7,3'-diazirine]-3-ol

(3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethylspiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-7,3'-diazirine]-3-ol

(3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethylspiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-7,3'-diazirine]-3-ol structure

CAS No:
114115-27-4
Formula:
C27H46N2O2
Chemical Name:
(3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethylspiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-7,3'-diazirine]-3-ol
Synonyms:
7,7'-azocholestane-25-diol;7,7'-azocholestane-3 beta-25-diol;114115-27-4;7,7'-Azocholestane-25-diol;7,7'-Azocholestane-3beta-25-diol;DTXSID90921275;17-(6-Hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,8,9,10,11,12,13,14,15,16,17-hexadecahydrospiro[cyclopenta[a]phenanthrene-7,3'-diaziren]-3-ol

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(3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethylspiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-7,3'-diazirine]-3-ol Basic Attributes

Molecular Weight：

430.7 g/mol

Exact Mass：

430.35592871 g/mol

Characteristics

PSA：

65.2 Å²

Drug Information

MeSH Entry Terms：

7,7'-azocholestane-25-diol

Computed Properties

Molecular Weight:430.7
XLogP3:6.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:430.35592871
Monoisotopic Mass:430.35592871
Topological Polar Surface Area:65.2
Heavy Atom Count:31
Complexity:729
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethylspiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-7,3'-diazirine]-3-ol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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