O-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl] methylsulfanylmethanethioate
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![O-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl] methylsulfanylmethanethioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/58809b713c9e47aaba9463998f1c60dc.png "O-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl] methylsulfanylmethanethioate")
O-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl] methylsulfanylmethanethioate
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CAS No:
6215-69-6
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Formula:
C26H44OS2
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Chemical Name:
O-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl] methylsulfanylmethanethioate
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Synonyms:
6215-69-6;NSC88910;DTXSID80977741;ZINC4901406;NSC-88910;O-Cholan-24-yl S-methyl carbonodithioate
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CAS No:
O-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl] methylsulfanylmethanethioate Basic Attributes
436.8 g/mol
436.28335837 g/mol
88910
Computed Properties
Molecular Weight:436.8
XLogP3:10.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:436.28335837
Monoisotopic Mass:436.28335837
Topological Polar Surface Area:66.6
Heavy Atom Count:29
Complexity:591
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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