Augustine
(1S,13R,15R,16S,18R)-15-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene
Also Known As: augustine|3-Methoxy-1,2-epoxycrinan|1beta,2beta-Epoxy-3alpha-methoxycrinan|NCI60_038566|(5xi)-3alpha-Methoxy-1beta,2beta-1,2-epoxycrinan|(1S,13R,15R,16S,18R)-15-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene|2H,5H-4,10b-Ethano(1,3)dioxolo(4,5-j)oxireno(a)phenanthridine,1a,3,3a,10c-tetrahydro-2-methoxy-, (1aS,2R,3aR,4S,10bS,10cR)-
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.1314 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.1314 |
| Monoisotopic Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 79659-60-2 |
|---|---|
| SMILES | CO[C@@H]1C[C@@H]2[C@@]3(CCN2CC4=CC5=C(C=C43)OCO5)[C@@H]6[C@H]1O6 |
| InChIKey | QLRRUWXMMVXORS-NRKLIOEPSA-N |
Product Overview
Augustine (CAS 79659-60-2), with molecular formula C17H19NO4 and molecular weight 301.1314 g/mol. IUPAC: (1S,13R,15R,16S,18R)-15-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene.
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