| SpectraBase Compound ID | 6nQjyECl03Z |
|---|---|
| InChI | InChI=1S/C34H42N2O4.2H2O4S/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2;2*1-5(2,3)4/h3-11,23-28,30H,12-21H2,1-2H3;2*(H2,1,2,3,4)/t23-,24+,25-,26+,27+,28+,30-,34-;;/m0../s1 |
| InChIKey | WPGNEEIURMNIMQ-ROOCDNBTSA-N |
| Mol Weight | 738.86 g/mol |
| Molecular Formula | C34H46N2O12S2 |
| Exact Mass | 738.249217 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I8vDTgxMRBc |
|---|---|
| Name | belladonnine, sulfate(1:2)(salt) |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H46N2O12S2 |
| InChI | InChI=1S/C34H42N2O4.2H2O4S/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2;2*1-5(2,3)4/h3-11,23-28,30H,12-21H2,1-2H3;2*(H2,1,2,3,4)/t23-,24+,25-,26+,27+,28+,30-,34-;;/m0../s1 |
| InChIKey | WPGNEEIURMNIMQ-ROOCDNBTSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 27992M |
| Solvent | D2O |