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

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

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

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

structure
  • CAS No:

    63979-65-7

  • Formula:

    C27H38O7

  • Chemical Name:

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

  • Synonyms:

    63979-65-7;n-Butyl-k-strophanthidin;k-Strophanthidin, n-butyl-;Strophanthidin-3-n-butyrate;BRN 0066761;(3-beta,5-beta)-5,14-Dihydroxy-19-oxo-3-(1-oxobutoxy)card-20(22)-enolide;5-beta-Card-20(22)-enolide, 19-oxo-3-beta,5,14-trihydroxy-, 3-butyrate;5-beta-CARD-20(22)-ENOLIDE, 5,14-DIHYDROXY-19-OXO-3-beta-(1-OXOBUTOXY)-;Card-20(22)-enolide, 5,14-dihydroxy-19-oxo-3-(1-oxobutoxy)-, (3-beta,5-beta)-;DTXSID90981551;3-(Butanoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide

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

474.6 g/mol

474.26175355 g/mol

Characteristics

110 Ų

Computed Properties

Molecular Weight:474.6
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:474.26175355
Monoisotopic Mass:474.26175355
Topological Polar Surface Area:110
Heavy Atom Count:34
Complexity:913
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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