| SpectraBase Compound ID | EkhKfwJePIC |
|---|---|
| InChI | InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19+,20-,21+,22+,23-,24-,25+,26?,27?,28?,30-,31+,32-,33+/m1/s1 |
| InChIKey | XUHJBXVYNBQQBD-LCSFCXPNSA-N |
| Mol Weight | 631.7 g/mol |
| Molecular Formula | C33H45NO11 |
| Exact Mass | 631.299261 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JurrVnJDBbc |
|---|---|
| Name | Mesaconitine |
| CAS Registry Number | 2752-64-9 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H45NO11 |
| InChI | InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19+,20-,21+,22+,23-,24-,25+,26?,27?,28?,30-,31+,32-,33+/m1/s1 |
| InChIKey | XUHJBXVYNBQQBD-LCSFCXPNSA-N |
| Instrument Name | Jeol PFT-100 |
| Literature Reference | S.W. Pelletier, Z. Djarmati, J. Am. Chem. Soc. 98, 2626 (1976). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |