Ranaconitine

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Catalog Number
ACM1360765
Product Name
Ranaconitine
Structure
Structure
CAS
1360-76-5
Category
Heterocyclic Organic Compound
Synonyms
4-[2-(Acetylamino)benzoyloxy]-20-ethyl-1α,14α,16β-trimethoxyaconitane-7,8,9-triol
IUPAC Name
Ranaconitine
Molecular Weight
600.7
Molecular Formula
C32H44N2O9
Canonical SMILES
CCN1CC2(CCC(C34C2CC(C31)(C5(CC(C6CC4C5(C6OC)O)OC)O)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C
InChI
InChI=1S/C32H44N2O9/c1-6-34-16-28(43-26(36)18-9-7-8-10-20(18)33-17(2)35)12-11-24(41-4)31-22-13-19-21(40-3)14-30(38,32(22,39)25(19)42-5)29(37,27(31)34)15-23(28)31/h7-10,19,21-25,27,37-39H,6,11-16H2,1-5H3,(H,33,35)/t19-,21-,22+,23+,24,25-,27,28+,29,30-,31,32-/m0/s1
InChI Key
XTSVKUJYTUPYRJ-JCPMKTTFSA-N
Boiling Point
758.9ºC at 760mmHg
Melting Point
132-134 °C
Flash Point
412.8ºC
Density
1.39g/cm³
Complexity
1170
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
8
Exact Mass
600.30468099
Heavy Atom Count
43
Hydrogen Bond Acceptor Count
10
Hydrogen Bond Donor Count
4
Isomeric SMILES
CCN1C[C@@]2(CCC(C34[C@@H]2CC(C31)([C@]5(C[C@@H]([C@@H]6C[C@H]4[C@@]5([C@H]6OC)O)OC)O)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C
Monoisotopic Mass
600.30468099
Physical State
Powder
Rotatable Bond Count
8
Topological Polar Surface Area
147 Ų
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