(1S,2R,11S,13S,14S,17R,18R)-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione
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![(1S,2R,11S,13S,14S,17R,18R)-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0771223757544398bc0f5d6f4fb9e20d.png "(1S,2R,11S,13S,14S,17R,18R)-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione")
(1S,2R,11S,13S,14S,17R,18R)-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione
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CAS No:
133586-83-1
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Formula:
C28H46OS2
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Chemical Name:
(1S,2R,11S,13S,14S,17R,18R)-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione
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Synonyms:
133586-83-1;BRN 4270942;Cholestane, 5-alpha,6-alpha-(oxycarbonothioylthio)-;5alpha-Cholestano(6alpha,5-d)-1',3'-oxathiolane-2'-thione;Cholestane 5,6-(oxycarbonothioylthio)-, (5-alpha,6-alpha)-;5-alpha-Cholestano-(6-alpha,5-d)-1'3'-oxathiolane-2'-thione;DTXSID20928196;11a,13b-Dimethyl-11-(6-methylheptan-2-yl)hexadecahydro-6H-cyclopenta[1,2]phenanthro[9,8a-d][1,3]oxathiole-6-thione
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CAS No:
(1S,2R,11S,13S,14S,17R,18R)-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione Basic Attributes
462.8 g/mol
462.29900843 g/mol
Computed Properties
Molecular Weight:462.8
XLogP3:10.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:462.29900843
Monoisotopic Mass:462.29900843
Topological Polar Surface Area:66.6
Heavy Atom Count:31
Complexity:705
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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