(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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(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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CAS No:
52659-53-7
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Formula:
C40H46N4O4
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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
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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
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CAS No:
(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
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
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