| SpectraBase Compound ID | A9BH85Y9pLT |
|---|---|
| InChI | InChI=1S/C34H45NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-14,20-29,37,39H,7,15-17H2,1-6H3/t20-,21-,22+,23+,24-,25-,26+,27?,28?,29?,31-,32+,33-,34+/m1/s1 |
| InChIKey | ODNSFUMREKLILI-BFLREONCSA-N |
| Mol Weight | 627.7 g/mol |
| Molecular Formula | C34H45NO10 |
| Exact Mass | 627.304347 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IcoY1QkB9Zm |
|---|---|
| Name | Anhydro-aconitine |
| CAS Registry Number | 60158-62-5 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C34H45NO10 |
| InChI | InChI=1S/C34H45NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-14,20-29,37,39H,7,15-17H2,1-6H3/t20-,21-,22+,23+,24-,25-,26+,27?,28?,29?,31-,32+,33-,34+/m1/s1 |
| InChIKey | ODNSFUMREKLILI-BFLREONCSA-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 |