
CAS Number466-24-0
SynonymsPikraconitin; Picraconitine; enzoylaconitine; 8-O-deacetylaconitine; Isaconitine; 14-O-Benzoylaconine; benzoylaconine; Benzoylaconitine; Aconine 14-benzoate
Molecular FormulaC32H45NO10
Molecular Weight603.700
Purity98%%
Density1.4±0.1 g/cm3
Boiling Point711.4±60.0 °C at 760 mmHg
Melting Point130°C
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 466-24-0 |
| Catalog No. | 2A-1169389 |
| Chinese Name | 苯甲酰乌头原碱 |
| Synonyms | Pikraconitin; Picraconitine; enzoylaconitine; 8-O-deacetylaconitine; Isaconitine; 14-O-Benzoylaconine; benzoylaconine; Benzoylaconitine; Aconine 14-benzoate |
| Molecular Formula | C32H45NO10 |
| Molecular Weight | 603.700 |
| Purity | 98% |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 711.4±60.0 °C at 760 mmHg |
| Melting Point | 130°C |
| Application | Benzoylaconine (Isaconitine; Pikraconitin) is aconite alkaloid in traditional Chinese medicine. |
| PubChem ID | 135076963 |
| SMILES | CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14 |
| InChI | InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26-,27+,29+,30-,31+,32-/m1/s1 |
| InChI Key | DHJXZSFKLJCHLH-BMTFSNIDSA-N |
| Transport Info | Product Name: Benzoylaconitine |
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