| SpectraBase Compound ID | 5lOpKLY1OQQ |
|---|---|
| InChI | InChI=1S/C21H24N2O3/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/h3-7,11,16,19,22,24H,8-10,12H2,1-2H3/b13-3-/t16-,19-/m0/s1 |
| InChIKey | FRUFGLJBMBUARK-JXSBNBLESA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C21H24N2O3 |
| Exact Mass | 352.178693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3BFADek2KPt |
|---|---|
| Name | Dihydrovallesiachotamine |
| Alternate Name(s) | (2S,12bS)-2-[(E)-1-hydroxybut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylic acid methyl ester (2S,12bS)-2-[(E)-1-methylolprop-1-enyl]-1,2,6,7,12,12b-hexahydropyrido[2,1-a]$b-carboline-3-carboxylic acid methyl ester methyl (2S,12bS)-2-[(E)-1-(hydroxymethyl)prop-1-enyl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate methyl (2S,12bS)-2-[(E)-1-hydroxybut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate methyl (2S,12bS)-2-[(E)-1-oxidanylbut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24N2O3 |
| InChI | InChI=1S/C21H24N2O3/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/h3-7,11,16,19,22,24H,8-10,12H2,1-2H3/b13-3-/t16-,19-/m0/s1 |
| InChIKey | FRUFGLJBMBUARK-JXSBNBLESA-N |
| Molecular Weight | 352.434 g/mol |
| SMILES | [nH]1c2ccccc2c2c1[C@]1(N(C=C([C@](\C(CO)=C\C)(C1)[H])C(=O)OC)CC2)[H] |
| SPLASH | splash10-001i-0092000000-28e4ce4a98439246f198 |
| Source of Spectrum | U-1996-354-11 |
| Wiley ID | 768160 |