[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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![[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f046359b895c4b4d981e44ea1ace0674.png "[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate")
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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CAS No:
65423-37-2
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Formula:
C21H36O5S
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Chemical Name:
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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Synonyms:
5 alpha-pregnane-3 beta, 20 alpha-diol 3-sulfate;5alpha-pregnane-3beta,20alpha-diol 3-sulphate;P-3,20-DS;pregnane-3,20-diol 3-sulfate;pregnane-3,20-diol 3-sulfate, (3alpha,5alpha,20S)-isomer;pregnane-3,20-diol 3-sulfate, (3alpha,5beta,20S)-isomer;pregnane-3,20-diol 3-sulfate, monosodium salt, (3alpha,5beta)-isomer;65423-37-2;Pregnane-3,20-diol 3-sulfate;5alpha-Pregnane-3beta,20alpha-diol 3-sulfate;P-3,20-DS;5alpha-Pregnane-3beta,20alpha-diol 3-sulphate;SCHEMBL2392478;DTXSID60984039;20-Hydroxypregnan-3-yl hydrogen sulfate;Pregnane-3,20-diol, 3-(hydrogen sulfate), (3beta,5alpha,20S)-
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CAS No:
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate Basic Attributes
400.6 g/mol
400.22834542 g/mol
Computed Properties
Molecular Weight:400.6
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:400.22834542
Monoisotopic Mass:400.22834542
Topological Polar Surface Area:92.2
Heavy Atom Count:27
Complexity:673
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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