A1L8F
Summary
| Name: | (1S,13S,15S,16S)-16-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-15-ol |
| Synonyms: | Montanine |
| Formula: | C17 H19 N O4 |
| Formal charge: | 0 |
| Formula weight: | 301.337 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H19NO4/c1-20-15-4-11-12-7-18(13(11)5-14(15)19)6-9-2-16-17(3-10(9)12)22-8-21-16/h2-4,12-15,19H,5-8H2,1H3/t12-,13-,14-,15-/m0/s1 |
| InChIKey | InChI | 1.06 | MKYLOMHWHWEFCT-AJNGGQMLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1C=C2[C@H](C[C@@H]1O)[N@@]3C[C@H]2c4cc5OCOc5cc4C3 |
| SMILES | CACTVS | 3.385 | CO[CH]1C=C2[CH](C[CH]1O)[N]3C[CH]2c4cc5OCOc5cc4C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@H]1C=C2[C@H](C[C@@H]1O)[N@]3Cc4cc5c(cc4[C@@H]2C3)OCO5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1C=C2C(CC1O)N3Cc4cc5c(cc4C2C3)OCO5 |
