Toxiferine I, 18,18'-dideoxy-
(9Z,25Z,28Z,38Z)-28,38-di(ethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaene
Also Known As: Dihydrotoxiferin|Dihydrotoxiferine|C-Alkaloid K|Dihydrotoxiferin I|C-Dihydrotoxiferine|18,18'-Dideoxytoxiferine|Toxiferine I, 18,18'-dideoxy-
| Molecular Formula | C40H46N4+2 |
|---|---|
| Molecular Weight | 582.37225 g/mol |
| LogP | 6.4184 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 582.37225 |
| Monoisotopic Mass | 582.37225 |
| Heavy Atoms | 44 |
| Complexity | 1682.8337 |
Chemical Identifiers
| CAS Number | 664-27-7 |
|---|---|
| SMILES | C/C=C\1/C2/C/3=C/N4C5=CC=CC=C5C67C4/C(=C\N8C3C9(C3=CC=CC=C83)C(C2)[N+](C1)(CC9)C)/C1/C(=C/C)/C[N+](C6C1)(CC7)C |
Product Overview
Toxiferine I, 18,18'-dideoxy- (CAS 664-27-7), with molecular formula C40H46N4+2 and molecular weight 582.37225 g/mol. IUPAC: (9Z,25Z,28Z,38Z)-28,38-di(ethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaene.
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