[(8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methyl-7-sulfooxyheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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![[(8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methyl-7-sulfooxyheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/63499bdc1a484ddfb071f888ecfc4235.png "[(8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methyl-7-sulfooxyheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate")
[(8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methyl-7-sulfooxyheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
structure -
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CAS No:
107241-08-7
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Formula:
C27H46O8S2
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Chemical Name:
[(8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methyl-7-sulfooxyheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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Synonyms:
26-hydroxycholesterol disulfate;107241-08-7;26-Hydroxycholesterol disulfate;DTXSID60910272;Cholest-5-ene-3,26-diyl bis(hydrogen sulfate)
- Categories:
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CAS No:
[(8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methyl-7-sulfooxyheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate Basic Attributes
562.8 g/mol
562.26341077 g/mol
Computed Properties
Molecular Weight:562.8
XLogP3:6.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:562.26341077
Monoisotopic Mass:562.26341077
Topological Polar Surface Area:144
Heavy Atom Count:37
Complexity:1060
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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