(2R,3S,4R,6S)-6-[1-[(10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol
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![(2R,3S,4R,6S)-6-[1-[(10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/85a5e5ef167141dc922e17cff76f2872.png "(2R,3S,4R,6S)-6-[1-[(10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol")
(2R,3S,4R,6S)-6-[1-[(10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol
structure -
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CAS No:
83108-09-2
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Formula:
C27H44O6
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Chemical Name:
(2R,3S,4R,6S)-6-[1-[(10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol
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Synonyms:
83108-09-2;beta-D-arabino-Hexopyranoside, (3beta,14beta)-3,14-dihydroxypregn-5-en-20-yl 2,6-dideoxy-;DTXSID201003114;3,14-Dihydroxypregn-5-en-20-yl 2,6-dideoxyhexopyranoside
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CAS No:
(2R,3S,4R,6S)-6-[1-[(10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-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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