1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate
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![1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/beb7f40e2cbe412eb373b736ff31b8b8.png "1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate")
1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate
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CAS No:
49756-86-7
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Formula:
C21H36O5S
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Chemical Name:
1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate
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Synonyms:
49756-86-7;5beta-Pregnane-3alpha,20alpha-diol 20-sulfate;DTXSID20964392;Pregnane-3,20-diol, 20-(hydrogen sulfate), (3alpha,5beta,20S)-;3-Hydroxypregnan-20-yl hydrogen sulfate;(3R,5R,8R,9S,10S,13R,14S,17S)-3-Hydroxy-10,13-dimethyl-17-(1-sulfooxyethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthrene
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CAS No:
1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl 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:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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