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Home > Encyclopedia > [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate structure

[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate 

structure
  • CAS No:

    2842-86-6

  • Formula:

    C25H34O6

  • Chemical Name:

    [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

  • Synonyms:

    2842-86-6;BRN 0063744;3-Acetyl-12-dehydrodigoxigenin;3-beta,14-Dihydroxy-12-oxo-5-beta-card-20(22)-enolide 3-acetate;5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-12-OXO-, 3-ACETATE;DTXSID00951083;3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide

[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Basic Attributes

430.5 g/mol

430.23553880 g/mol

Characteristics

89.9 Ų

Computed Properties

Molecular Weight:430.5
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:430.23553880
Monoisotopic Mass:430.23553880
Topological Polar Surface Area:89.9
Heavy Atom Count:31
Complexity:862
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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