| SpectraBase Compound ID | EM64bZJD5BK |
|---|---|
| InChI | InChI=1S/C21H26N2O3.ClH.2H2O/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;;;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H;2*1H2/t12-,15-,17-,18-,19-;;;/m0.../s1 |
| InChIKey | OOIZAMYWLGECQM-JWIYSOGOSA-N |
| Mol Weight | 426.941 g/mol |
| Molecular Formula | C21H31ClN2O5 |
| Exact Mass | 426.19215 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AG7nWypqgo |
|---|---|
| Name | 17a-hydroxyyohimban-16b-carboxylic acid, methyl ester, monohydrochloride, dihydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31ClN2O5 |
| InChI | InChI=1S/C21H26N2O3.ClH.2H2O/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;;;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H;2*1H2/t12-,15-,17-,18-,19-;;;/m0.../s1 |
| InChIKey | OOIZAMYWLGECQM-JWIYSOGOSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 31720M |
| Solvent | Polysol |