(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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![(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/de4080ef366d47e1899b8f63eb3c937a.png "(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol")
(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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CAS No:
54993-23-6
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Formula:
C27H44O2
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Chemical Name:
(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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Synonyms:
20,22-epoxycholesterol;20,22-Epoxycholesterol;54993-23-6;cholesterol 20,22 epoxide;DTXSID80970338;20,22-Epoxycholest-5-en-3-ol;Cholest-5-en-3-ol, 20,22-epoxy-, (3beta,20xi)-
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CAS No:
(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Basic Attributes
400.6 g/mol
400.334130642 g/mol
Computed Properties
Molecular Weight:400.6
XLogP3:6.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:400.334130642
Monoisotopic Mass:400.334130642
Topological Polar Surface Area:32.8
Heavy Atom Count:29
Complexity:682
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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