Npc37693
(30E,38Z)-30,38-di(ethylidene)-16,32-dimethyl-10-oxa-8,26-diaza-16,32-diazoniadodecacyclo[27.5.2.213,16.18,12.01,9.02,7.09,28.011,19.011,26.015,19.020,25.032,35]nonatriaconta-2,4,6,12(39),20,22,24,27-octaene
Also Known As: C-Alkaloid G|C-Curarine|C-Curarine I|C-Curarine-I|C-Curarin I|Npc37693|18-Deoxy-2,2'-epoxytoxiferine I|EINECS 230-517-9|Toxiferine I, 18-deoxy-2,2'-epoxy-|18,18'-Dideoxy-2,2'-epoxytoxiferine I|Toxiferine I, 18,18'-dideoxy-2,2'-epoxy-
| Molecular Formula | C40H44N4O+2 |
|---|---|
| Molecular Weight | 596.3515 g/mol |
| LogP | 6.104 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 596.3515 |
| Monoisotopic Mass | 596.3515 |
| Heavy Atoms | 45 |
| Complexity | 1803.023 |
Chemical Identifiers
| CAS Number | 69356-55-4 |
|---|---|
| SMILES | C/C=C/1\C[N+]2(CCC34C2CC1C5=CN6C7=CC=CC=C7C89C61C(=CN(C53O1)C1=CC=CC=C41)C\1CC8[N+](CC9)(C/C1=C/C)C)C |
Product Overview
Npc37693 (CAS 69356-55-4), with molecular formula C40H44N4O+2 and molecular weight 596.3515 g/mol. IUPAC: (30E,38Z)-30,38-di(ethylidene)-16,32-dimethyl-10-oxa-8,26-diaza-16,32-diazoniadodecacyclo[27.5.2.213,16.18,12.01,9.02,7.09,28.011,19.011,26.015,19.020,25.032,35]nonatriaconta-2,4,6,12(39),20,22,24,27-octaene.
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