Hypaconitine
[(2R,3R,5R,8R,10R,17R)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Also Known As: Hypaconitine, [(2R,3R,5R,8R,10R,17R)-8-Acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate, Aconitane-8,13,14,15-tetraol, 16,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate benzoate, (1-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
| Molecular Formula | C33H45NO10 |
|---|---|
| Molecular Weight | 615.3043 g/mol |
| LogP | 1.29 |
| Topological Polar Surface Area | 133.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 615.3043 |
| Heavy Atoms | 44 |
| Complexity | 1312 |
Chemical Identifiers
| CAS Number | 6900-87-4 |
|---|---|
| SMILES | CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@](C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56[C@@H]7C(C2[C@H]5N(CC7(CCC6OC)COC)C)OC |
Product Overview
Hypaconitine (CAS 6900-87-4), with molecular formula C33H45NO10 and molecular weight 615.3043 g/mol. IUPAC: [(2R,3R,5R,8R,10R,17R)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate.
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