Indaconitine
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Indaconitine
structure -
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CAS No:
4491-19-4
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Formula:
C34H47NO10
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Chemical Name:
Indaconitine
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Synonyms:
Aconitane-3,8,13,14-tetrol,20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,8-acetate 14-benzoate,(1α,3α,6α,14α,16β)-;Indaconitine;2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-3,8,13,14-tetrol deriv.;Acetylbenzoylpseudoaconine;Acetylbenzoylpseudaconine;15-Deoxyaconitine;857370-52-6
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CAS No:
Characteristics
133.22000
0.54
1.3±0.1 g/cm3
193-195 °C
692.8±55.0 °C at 760 mmHg
372.8±31.5 °C
1.603
D21 +18.28° (c = 2.18 in alc)
Computed Properties
Molecular Weight:629.7
XLogP3:1.3
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:133
Heavy Atom Count:45
Complexity:1180
Defined Atom Stereocenter Count:13
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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