Isoreserpine
methyl (1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: Isoreserpine|3-Epireserpine|3-Isoreserpine|(-)-Isoreserpine|Isoreserpin|reserpine|Alserin|Reserpine Impurity 7|-ISORESERPINE|Spectrum_000004|Spectrum2_001770|Spectrum3_001236|Spectrum5_000924|BSPBio_002712|KBioSS_000344|SPECTRUM300534|DivK1c_000200|SPBio_001639|BCBcMAP01_000242|ERK5-5M14|HMS500J22|KBio1_000200|KBio2_000344|KBio2_002912|KBio2_005480|KBio3_002212|IDI1_000200|SMP1_000292|BRD-K37080523-001-01-0
| Molecular Formula | C33H40N2O9 |
|---|---|
| Molecular Weight | 608.2734 g/mol |
| LogP | 4.1711 |
| Topological Polar Surface Area | 117.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 608.2734 |
| Monoisotopic Mass | 608.2734 |
| Heavy Atoms | 44 |
| Complexity | 1526.4818 |
Chemical Identifiers
| CAS Number | 482-85-9 |
|---|---|
| SMILES | CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC |
Product Overview
Isoreserpine (CAS 482-85-9), with molecular formula C33H40N2O9 and molecular weight 608.2734 g/mol. IUPAC: methyl (1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
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