
CAS Number2752-64-9
Synonyms13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-8; Mesaaconitine; Aconitane-3,8,13,14,16-pentol, 1,6,15-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate; N-Desethyl-N-Methylaconitine; MESACONITINE(SH); Japaconitine B; Japaconitine A; 8-Acetoxy-3,13,16-trihydroxy-1,6,15-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate; MESACONITINE (PRIMARY STANDARD)
Molecular FormulaC33H45NO11
Molecular Weight631.72
Purity98.00%
Density1.4±0.1 g/cm3
Boiling Point695.0±55.0 °C at 760 mmHg
AppearanceSolid;White to Light yellow powder to crystal
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2752-64-9 |
| Catalog No. | 2A-9028973 |
| Chinese Name | 新乌头碱; 中乌头碱 |
| Synonyms | 13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-8; Mesaaconitine; Aconitane-3,8,13,14,16-pentol, 1,6,15-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate; N-Desethyl-N-Methylaconitine; MESACONITINE(SH); Japaconitine B; Japaconitine A; 8-Acetoxy-3,13,16-trihydroxy-1,6,15-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate; MESACONITINE (PRIMARY STANDARD) |
| Molecular Formula | C33H45NO11 |
| Molecular Weight | 631.72 |
| Purity | 98.00 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 695.0±55.0 °C at 760 mmHg |
| Appearance | Solid;White to Light yellow powder to crystal |
| Storage Condition | The warehouse is low-temperature, ventilated, dry, |
| Packaging | I |
| Application | Mesaconitine is the main active ingredient of Aconitum plants and has a variety of pharmaceutical effects. |
| PubChem ID | 90469517 |
| MDL Number | C33H45NO11 |
| SMILES | COCC12CN(C)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1 |
| InChI | InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1 |
| InChI Key | XUHJBXVYNBQQBD-PZOVHGGOSA-N |
| Hazard Symbols | 6.1(a) |
| MSDS | msds/28973_1_2752_64_9.pdf |
| Transport Info | Product Name: Neoaconitine |
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