13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-8
Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,3α,6α,14α,15α,16β)-
CAS: 2752-64-9
Molecular Formula: C33H45NO11
13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-8 - Names and Identifiers
13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-8 - Physico-chemical Properties
| Molecular Formula | C33H45NO11 |
| Molar Mass | 631.71 |
| Density | 1.39±0.1 g/cm3(Predicted) |
| Melting Point | 208-209 °C |
| Boling Point | 708.7±60.0 °C(Predicted) |
| Flash Point | 382.4°C |
| Vapor Presure | 4.45E-21mmHg at 25°C |
| pKa | 12.14±0.70(Predicted) |
| Storage Condition | 2-8°C(protect from light) |
| Refractive Index | 1.618 |
| Physical and Chemical Properties | Rhizome derived from aconite of the family Ranunculaceae. |
13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-8 - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| UN IDs | 1544 |
| HS Code | 29399990 |
| Hazard Class | 6.1(a) |
| Packing Group | I |
13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-8 - Reference Information
| overview | aconitine is the main active ingredient in aconitine and has a wide range of uses. in the prior art, solvent extraction or ion exchange resin are mostly used for extraction, and the extraction rate is very low. Some studies have provided a method for the conversion of aconitum diester alkaloids into lipid alkaloids. The aconitum diester alkaloid material is added to toluene and the toluene is not used as the material, the long-chain fatty acid is added to toluene, and then pyridine is added to toluene and heated and refluxed to obtain the product lipid alkaloid. The aconitum diester-type alkaloid material is aconitine standard, aconitine standard or subaconitine standard. Electrospray mass spectrometry analysis shows that the method of the present invention makes the highly toxic aconitum diester alkaloids into lipid-type alkaloids, the conversion rate of which is more than 90%. |
| Biological activity | Mesaconitine is one of the aconite alkaloids in the tuber of Aconiti tuber, which increases the level of [Ca2 +] I in endothelial cells by flowing into Ca2 + from the extracellular space. |
| Target | Value |
| use | used for content determination/identification/pharmacological experiments, etc. Pharmacological effects: anti-inflammatory effect, promote protein formation in the liver, analgesic effect. |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | oral administration-mouse LD50: 1.9 mg/kg; Abdominal cavity-mouse LD50: 0.231 mg/kg |
| flammability hazard characteristics | flammability; fire scene decomposition of toxic nitrogen oxide gas |
| storage and transportation characteristics | warehouse is low temperature, ventilated and dry; Store separately from food raw materials |
| fire extinguishing agent | water, carbon dioxide, dry powder, sand |
Last Update：2024-04-09 15:16:44
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