| SpectraBase Compound ID | BF2jcSQ6IhG |
|---|---|
| InChI | InChI=1S/C21H26N2O3/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/h3-7,16-17,19,22,24H,8-12H2,1-2H3/b13-3+ |
| InChIKey | BYYKBHOCNWSLJE-QLKAYGNNSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C21H26N2O3 |
| Exact Mass | 354.194343 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FHVCfzpVUdu |
|---|---|
| Name | 18,19-Secoyohimban-19-oic acid, 16,17-didehydro-16-(hydroxymethyl)-, methyl ester, (15.beta.,16Z,20.xi.)- |
| CAS Registry Number | 5523-48-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N2O3 |
| InChI | InChI=1S/C21H26N2O3/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/h3-7,16-17,19,22,24H,8-12H2,1-2H3/b13-3+ |
| InChIKey | BYYKBHOCNWSLJE-QLKAYGNNSA-N |
| Molecular Weight | 354.450 g/mol |
| SMILES | [nH]1c2ccccc2c2c1C1CC(\C(CO)=C/C)C(CN1CC2)C(OC)=O |
| SPLASH | splash10-0006-9512000000-8662514af99fecef4a97 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Methyl 2-[(1Z)-1-(hydroxymethyl)-1-propenyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-3-carboxylate 2-[(Z)-1-hydroxybut-2-en-2-yl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-3-carboxylic acid methyl ester 2-[(Z)-1-methylolprop-1-enyl]-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carboline-3-carboxylic acid methyl ester Indolo[2,3-a]quinolizine-3-carboxylic acid, 1,2,3,4,6,7,12,12b-octahydro-2-[1-(hydroxymethyl)propenyl]-, methyl ester Methyl 2-[(Z)-1-(hydroxymethyl)prop-1-enyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-3-carboxylate Methyl 2-[(Z)-1-hydroxybut-2-en-2-yl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-3-carboxylate Methyl 2-[(Z)-1-oxidanylbut-2-en-2-yl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-3-carboxylate |
| Wiley ID | 1344712 |