| SpectraBase Compound ID | J57U3FPVDj0 |
|---|---|
| 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/h4-7,11,13,16,19,22,24H,3,8-10,12H2,1-2H3 |
| InChIKey | PVCFKKZSZJUUOQ-UHFFFAOYSA-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 | JjdmtbZ3qlV |
|---|---|
| Name | 18,19-Seco-15.beta.-yohimban-19-oic acid, 20,21-didehydro-16.beta.-(hydroxymethyl)-, methyl ester |
| CAS Registry Number | 5552-25-0 |
| 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/h4-7,11,13,16,19,22,24H,3,8-10,12H2,1-2H3 |
| InChIKey | PVCFKKZSZJUUOQ-UHFFFAOYSA-N |
| Molecular Weight | 354.450 g/mol |
| SMILES | OCC(C1C(=CN2CCc3c4ccccc4[nH]c3C2C1)C(=O)OC)CC |
| SPLASH | splash10-0089-2693000000-1546bd4b147bc70f667b |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Methyl 2-[1-(hydroxymethyl)propyl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate 2-(1-hydroxybutan-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylic acid methyl ester 2-(1-Methylolpropyl)-1,2,6,7,12,12b-hexahydropyrido[2,1-a]$b-carboline-3-carboxylic acid methyl ester Methyl 2-(1-hydroxybutan-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate Methyl 2-(1-oxidanylbutan-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate Tetrahydrovallesiachotamine |
| Wiley ID | 1344710 |