[(3S,5S,8R,9S,10S,13R,14S,17R)-5-acetyloxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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[(3S,5S,8R,9S,10S,13R,14S,17R)-5-acetyloxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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CAS No:
16808-82-5
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Formula:
C28H36O8
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Chemical Name:
[(3S,5S,8R,9S,10S,13R,14S,17R)-5-acetyloxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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Synonyms:
HELLEBRIGENIN 3,5-DIACETATE;3,5-Diacetylhellebrigenin;NSC109330;NSC-109330;16808-82-5;A811013;5.beta.-Bufa-20, 3.beta.,5,14-trihydroxy-19-oxo-, 3,5-diacetate;[(3S,5S,8R,9S,10S,13R,14S,17R)-5-acetyloxy-10-methanoyl-13-methyl-14-oxidanyl-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate;acetic acid [(3S,5S,8R,9S,10S,13R,14S,17R)-5-acetyloxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
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CAS No:
[(3S,5S,8R,9S,10S,13R,14S,17R)-5-acetyloxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Basic Attributes
500.6 g/mol
500.24101810 g/mol
109330
Computed Properties
Molecular Weight:500.6
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:500.24101810
Monoisotopic Mass:500.24101810
Topological Polar Surface Area:116
Heavy Atom Count:36
Complexity:1050
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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