| Name | 18,19-Secoyohimban-19-oic acid, 16,17,20,21-tetradehydro-16-formyl-, methyl ester, (15beta,16E)- |
| Synonyms | 18,19-Secoyohimban-19-oic acid, 16,17,20,21-tetradehydro-16-formyl-, methyl ester, (15β,16E)- Indolo[2,3-a]quinolizine-3-carboxylic acid, 2-[(1E)-1-formyl-1-propen-1-yl]-1,2,6,7,12,12b-hexahydro-, methyl ester, (2S)- AC1NSSRR |
| CAS | 10-08-2 |
| InChI | InChI=1S/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3-/t16-,19-/m0/s1 |
| InChIKey | NTVLUSJWJRSPSM-QOGBKHAWSA-N |
| Canonical Smiles | COC(=O)C1[C@H](C(=C\C)/C=O)C[C@H]2C3=C(CCN2C=1)C4C(=CC=CC=4)N3 |
| Isomers Smiles | C/C(=C(\[C@]1(C(C(OC)=O)=CN2[C@@](C3NC4C(C=3CC2)=CC=CC=4)([H])C1)[H])/C=O)/[H] |
| Molecular Formula | C21H22N2O3 |
| Molar Mass | 350.41 |
| Density | 1.28 |
| Boling Point | 566.8°Cat760mmHg |
| Flash Point | 296.6°C |
| logP | 3.21 |
| Refractive Index | 1.654 (Predicted) |