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Home > Encyclopedia > [(1R,3S,5S,8R,9S,10R,13R,17S)-1-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

[(1R,3S,5S,8R,9S,10R,13R,17S)-1-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

[(1R,3S,5S,8R,9S,10R,13R,17S)-1-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate structure

[(1R,3S,5S,8R,9S,10R,13R,17S)-1-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate 

structure
  • CAS No:

    96819-79-3

  • Formula:

    C29H34O10

  • Chemical Name:

    [(1R,3S,5S,8R,9S,10R,13R,17S)-1-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

  • Synonyms:

    Abyssinol C;96819-79-3;DTXSID60914295;1,3-Bis(acetyloxy)-5-hydroxy-15-methoxy-16,19-dioxobufa-14,20,22-trienolide

[(1R,3S,5S,8R,9S,10R,13R,17S)-1-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Basic Attributes

542.6 g/mol

542.21519728 g/mol

Characteristics

143 Ų

Computed Properties

Molecular Weight:542.6
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:542.21519728
Monoisotopic Mass:542.21519728
Topological Polar Surface Area:143
Heavy Atom Count:39
Complexity:1230
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1R,3S,5S,8R,9S,10R,13R,17S)-1-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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