| SpectraBase Compound ID | EO79b4M5ZUO |
|---|---|
| InChI | InChI=1S/C29H36N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h7,9,13-16,18,21,25H,6,8,10-12,17H2,1-5H3/t18-,21-,25-/m0/s1 |
| InChIKey | MBYXEBXZARTUSS-HMHJJOSWSA-N |
| Mol Weight | 476.6 g/mol |
| Molecular Formula | C29H36N2O4 |
| Exact Mass | 476.267508 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KYnCi2aqE5d |
|---|---|
| Name | Emetamine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H36N2O4 |
| InChI | InChI=1S/C29H36N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h7,9,13-16,18,21,25H,6,8,10-12,17H2,1-5H3/t18-,21-,25-/m0/s1 |
| InChIKey | MBYXEBXZARTUSS-HMHJJOSWSA-N |
| Molecular Weight | 476.617 g/mol |
| SMILES | [C@@]12(N(CCc3cc(c(cc23)OC)OC)C[C@@]([C@](C1)(Cc1c2cc(OC)c(cc2ccn1)OC)[H])(CC)[H])[H] |
| SPLASH | splash10-0kou-0090200000-8aa9933247f8b35b3507 |
| Source of Spectrum | AH-138-214-1 |
| Synonyms | (2R,3R,11bS)-2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (2R,3R,11bS)-2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (2R,3R,11bS)-2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine 6',7',10,11-tetramethoxy-1',2',3',4'-tetradehydroemetan |
| Wiley ID | 1612289 |