Ranaconitine

Catalog Number	ACM1360765
CAS Number	1360-76-5
Structure
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
Purity	95%+
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
PhysicalState	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.

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