(2S,3S,4R,6R)-6-[[(10R,13R,14S,17S)-14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxane-3,4-diol
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![(2S,3S,4R,6R)-6-[[(10R,13R,14S,17S)-14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e3c69d7d94554c7a91485aa89ecd23bb.png "(2S,3S,4R,6R)-6-[[(10R,13R,14S,17S)-14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxane-3,4-diol")
(2S,3S,4R,6R)-6-[[(10R,13R,14S,17S)-14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxane-3,4-diol
structure -
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CAS No:
116965-72-1
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Formula:
C27H44O6
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Chemical Name:
(2S,3S,4R,6R)-6-[[(10R,13R,14S,17S)-14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxane-3,4-diol
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Synonyms:
116965-72-1;Calocinin;DTXSID70922220;14,20-Dihydroxypregn-5-en-3-yl 2,6-dideoxyhexopyranoside;beta-L-lyxo-Hexopyranoside, (3beta,14beta)-14,20-dihydroxypregn-5-en-3-yl 2,6-dideoxy-
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CAS No:
(2S,3S,4R,6R)-6-[[(10R,13R,14S,17S)-14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxane-3,4-diol Basic Attributes
464.6 g/mol
464.31378912 g/mol
Computed Properties
Molecular Weight:464.6
XLogP3:2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:464.31378912
Monoisotopic Mass:464.31378912
Topological Polar Surface Area:99.4
Heavy Atom Count:33
Complexity:785
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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