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Home > Encyclopedia > (5α,12β,19α)-2,3-Didehydro-8α-[(2β,5α,12β,19α)-1-demethyl-6β,7β-epoxyvallesamidin-15-yl]-6β,7β-epoxyaspidospermidine-3-carboxylic acid methyl ester

(5α,12β,19α)-2,3-Didehydro-8α-[(2β,5α,12β,19α)-1-demethyl-6β,7β-epoxyvallesamidin-15-yl]-6β,7β-epoxyaspidospermidine-3-carboxylic acid methyl ester

(5α,12β,19α)-2,3-Didehydro-8α-[(2β,5α,12β,19α)-1-demethyl-6β,7β-epoxyvallesamidin-15-yl]-6β,7β-epoxyaspidospermidine-3-carboxylic acid methyl ester structure

(5α,12β,19α)-2,3-Didehydro-8α-[(2β,5α,12β,19α)-1-demethyl-6β,7β-epoxyvallesamidin-15-yl]-6β,7β-epoxyaspidospermidine-3-carboxylic acid methyl ester 

structure
  • CAS No:

    52659-53-7

  • Formula:

    C40H46N4O4

  • Chemical Name:

    (5α,12β,19α)-2,3-Didehydro-8α-[(2β,5α,12β,19α)-1-demethyl-6β,7β-epoxyvallesamidin-15-yl]-6β,7β-epoxyaspidospermidine-3-carboxylic acid methyl ester

  • Synonyms:

    (5α,12β,19α)-2,3-Didehydro-8α-[(2β,5α,12β,19α)-1-demethyl-6β,7β-epoxyvallesamidin-15-yl]-6β,7β-epoxyaspidospermidine-3-carboxylic acid methyl ester;Criophylline

(5α,12β,19α)-2,3-Didehydro-8α-[(2β,5α,12β,19α)-1-demethyl-6β,7β-epoxyvallesamidin-15-yl]-6β,7β-epoxyaspidospermidine-3-carboxylic acid methyl ester Basic Attributes

646.81764

646.352

Characteristics

81.9

5

Computed Properties

Molecular Weight:646.8
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:646.35190596
Monoisotopic Mass:646.35190596
Topological Polar Surface Area:81.9
Heavy Atom Count:48
Complexity:1490
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (5α,12β,19α)-2,3-Didehydro-8α-[(2β,5α,12β,19α)-1-demethyl-6β,7β-epoxyvallesamidin-15-yl]-6β,7β-epoxyaspidospermidine-3-carboxylic acid methyl ester

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