(2R,3R,4S,5R,6R)-2-[[(10R,13R,17R)-17-ethenyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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![(2R,3R,4S,5R,6R)-2-[[(10R,13R,17R)-17-ethenyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1145df900a124c169fa91c7b73b805ae.png "(2R,3R,4S,5R,6R)-2-[[(10R,13R,17R)-17-ethenyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
(2R,3R,4S,5R,6R)-2-[[(10R,13R,17R)-17-ethenyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
structure -
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CAS No:
115952-25-5
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Formula:
C27H42O6
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Chemical Name:
(2R,3R,4S,5R,6R)-2-[[(10R,13R,17R)-17-ethenyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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Synonyms:
115952-25-5;Pregna-5,20-dien-3beta-yl beta-D-galactopyranoside;DTXSID70921874;Pregna-5,20-dien-3-yl hexopyranoside;beta-D-Galactopyranoside, (3beta)-pregna-5,20-dien-3-yl
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CAS No:
(2R,3R,4S,5R,6R)-2-[[(10R,13R,17R)-17-ethenyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol Basic Attributes
462.6 g/mol
462.29813906 g/mol
Computed Properties
Molecular Weight:462.6
XLogP3:3.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:462.29813906
Monoisotopic Mass:462.29813906
Topological Polar Surface Area:99.4
Heavy Atom Count:33
Complexity:783
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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