 Home > Encyclopedia > (1S,2R,5S,11S,13S,14S,17R,18R)-5-hydroxy-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,5S,11S,13S,14S,17R,18R)-5-hydroxy-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,5S,11S,13S,14S,17R,18R)-5-hydroxy-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

CAS No:
133586-84-2
Formula:
C28H46O2S2
Chemical Name:
(1S,2R,5S,11S,13S,14S,17R,18R)-5-hydroxy-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
Synonyms:
133586-84-2;BRN 4272696;5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol;3beta-Hydroxy-5alpha-chloestano(6alpha,5-d)',3'-oxathiolane-2'-thione;3-beta-Hydroxy-5-alpha-cholestano(6-alpha,5-d)',3'-oxathiolane-2'-thione;Cholestan-3-ol, 5,6-(oxycarbonothioylthio)-, (3-beta,5-alpha,6-alpha)-;DTXSID80928197;Cholestan-3-ol, 5,6-(oxycarbonothioylthio)-, (3beta,5alpha,6alpha)-;3-Hydroxy-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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(1S,2R,5S,11S,13S,14S,17R,18R)-5-hydroxy-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

Molecular Weight：

478.8 g/mol

Exact Mass：

478.29392305 g/mol

Characteristics

PSA：

86.8 Å²

Computed Properties

Molecular Weight:478.8
XLogP3:9.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:478.29392305
Monoisotopic Mass:478.29392305
Topological Polar Surface Area:86.8
Heavy Atom Count:32
Complexity:739
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S,2R,5S,11S,13S,14S,17R,18R)-5-hydroxy-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
Characteristics
Computed Properties

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