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Home > Encyclopedia > 3,5,6,16,17-Pentadehydro-6-[(16S,19E)-19,20-didehydro-16-(methoxycarbonyl)corynan-17-yl]-16-methoxycarbonyl-19α-methyl-18-oxayohimban-4-ium

3,5,6,16,17-Pentadehydro-6-[(16S,19E)-19,20-didehydro-16-(methoxycarbonyl)corynan-17-yl]-16-methoxycarbonyl-19α-methyl-18-oxayohimban-4-ium

3,5,6,16,17-Pentadehydro-6-[(16S,19E)-19,20-didehydro-16-(methoxycarbonyl)corynan-17-yl]-16-methoxycarbonyl-19α-methyl-18-oxayohimban-4-ium structure

3,5,6,16,17-Pentadehydro-6-[(16S,19E)-19,20-didehydro-16-(methoxycarbonyl)corynan-17-yl]-16-methoxycarbonyl-19α-methyl-18-oxayohimban-4-ium 

structure
  • CAS No:

    36519-42-3

  • Formula:

    C42H44N4O5

  • Chemical Name:

    3,5,6,16,17-Pentadehydro-6-[(16S,19E)-19,20-didehydro-16-(methoxycarbonyl)corynan-17-yl]-16-methoxycarbonyl-19α-methyl-18-oxayohimban-4-ium

  • Synonyms:

    3,5,6,16,17-Pentadehydro-6-[(16S,19E)-19,20-didehydro-16-(methoxycarbonyl)corynan-17-yl]-16-methoxycarbonyl-19α-methyl-18-oxayohimban-4-ium;Serpentinine;OxayohiMbaniuM, 3,4,5,6,16,17-hexadehydro-6-[ (16S,19E)-19, 20-didehydro-16-(Methoxycarbonyl)corynan-17-yl]-16-(Methoxycarbony l)-19-Methyl-, (19.alpha.)-

  • Categories:

    Natural Products  >  Alkaloids

3,5,6,16,17-Pentadehydro-6-[(16S,19E)-19,20-didehydro-16-(methoxycarbonyl)corynan-17-yl]-16-methoxycarbonyl-19α-methyl-18-oxayohimban-4-ium Basic Attributes

685.8 g/mol

684.331177

Characteristics

97.63000

0.63

Computed Properties

Molecular Weight:685.8
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:685.33899555
Monoisotopic Mass:685.33899555
Topological Polar Surface Area:101
Heavy Atom Count:51
Formal Charge:1
Complexity:1400
Undefined Atom Stereocenter Count:6
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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