Ranaconitine

• CAS: 1360-76-5
• Catalog Number: ACM1360765
• Category: Other Products
• Molecular Weight: 600.7
• Molecular Formula: C32H44N2O9
• Synonyms: 4-[2-(Acetylamino)benzoyloxy]-20-ethyl-1α,14α,16β-trimethoxyaconitane-7,8,9-triol
• IUPAC Name: Ranaconitine
• 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

Custom Q&A

What is the melting point of ranaconitine?

The melting point of ranaconitine is 132-134℃.

What is the chemical formula of ranaconitine?

The chemical formula of ranaconitine is C32H44N2O9.

Where does ranaconitine occur naturally?

Ranaconitine occurs in the ethanolic extract of the Bulgarian plant Aconitum ranunculaefolium.

What is the specific rotation of ranaconitine?

The specific rotation of ranaconitine is [α]D +33.2° (c 0.5, CHCl3).

What are the potential uses of ranaconitine?

Ranaconitine displays potential anti-inflammatory analgesic activity and antagonism/modulation of voltage-gated Na+ channels.

How is ranaconitine stored?

Ranaconitine should be stored at -20°C.

What is the solubility of ranaconitine in DMF?

The solubility of ranaconitine in DMF is 30 mg/ml.

What is the boiling point of ranaconitine?

The predicted boiling point of ranaconitine is 758.9±60.0 °C.

What is the pka value of ranaconitine?

The predicted pka value of ranaconitine is 12.08±0.70.

What is the density of ranaconitine?

The density of ranaconitine is 1.39.