Aconitane-3,13,14-triol, 8,15-didehydro-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-(3,4-dimethoxybenzoate), (1α,3α,6α,14α,16β)-
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Aconitane-3,13,14-triol, 8,15-didehydro-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-(3,4-dimethoxybenzoate), (1α,3α,6α,14α,16β)-
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CAS No:
62926-57-2
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Formula:
C34H47NO10
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Chemical Name:
Aconitane-3,13,14-triol, 8,15-didehydro-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-(3,4-dimethoxybenzoate), (1α,3α,6α,14α,16β)-
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Synonyms:
Aconitane-3,13,14-triol,8,15-didehydro-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,14-(3,4-dimethoxybenzoate),(1α,3α,6α,14α,16β)-;2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-3,13,14-triol deriv.;Falaconitine
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CAS No:
Aconitane-3,13,14-triol, 8,15-didehydro-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-(3,4-dimethoxybenzoate), (1α,3α,6α,14α,16β)- Basic Attributes
629.7 g/mol
629.74
DTXSID10331615
Computed Properties
Molecular Weight:629.7
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:11
Exact Mass:629.31999670
Monoisotopic Mass:629.31999670
Topological Polar Surface Area:125
Heavy Atom Count:45
Complexity:1180
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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