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

(3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(2R,5R)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

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

CAS No:
123123-41-1
Formula:
C27H45NO2
Chemical Name:
(3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(2R,5R)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Synonyms:
22,26-epiminocholest-5-ene-3,16-diol;capsimine;Capsimine;123123-41-1;22,26-Epiminocholest-5-ene-3,16-diol;DTXSID00924378;20-(5-Methylpiperidin-2-yl)pregn-5-ene-3,16-diol;16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)-;(3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(2R,5R)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

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

Molecular Weight：

415.7 g/mol

Exact Mass：

415.345029678 g/mol

Characteristics

PSA：

52.5 Å²

Drug Information

MeSH Entry Terms：

22,26-epiminocholest-5-ene-3,16-diol

Computed Properties

Molecular Weight:415.7
XLogP3:5.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:415.345029678
Monoisotopic Mass:415.345029678
Topological Polar Surface Area:52.5
Heavy Atom Count:30
Complexity:690
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Drug Information
Computed Properties

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