| SpectraBase Compound ID | 6AgqmxXPrFS |
|---|---|
| InChI | InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)22(37)12-13-32-21-14-33(39)23(42-5)15-34(45-18(2)36,25(28(32)35)26(43-6)27(31)32)24(21)29(33)44-30(38)19-8-10-20(41-4)11-9-19/h8-11,21-29,37,39H,7,12-17H2,1-6H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,31-,32-,33+,34-/m1/s1 |
| InChIKey | TWSCBMLWLALCLB-LAAYUWRQSA-N |
| Mol Weight | 629.7 g/mol |
| Molecular Formula | C34H47NO10 |
| Exact Mass | 629.319997 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86o0PKbgJ8l |
|---|---|
| Name | 1-DEMETHOXY-YUNACONITINE |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H47NO10 |
| InChI | InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)22(37)12-13-32-21-14-33(39)23(42-5)15-34(45-18(2)36,25(28(32)35)26(43-6)27(31)32)24(21)29(33)44-30(38)19-8-10-20(41-4)11-9-19/h8-11,21-29,37,39H,7,12-17H2,1-6H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,31-,32-,33+,34-/m1/s1 |
| InChIKey | TWSCBMLWLALCLB-LAAYUWRQSA-N |
| Literature Reference Author | J.L.WANG,X.L.SHEN,Q.H.CHEN,G.QI,W.WANG,G.QI,W.WANG,F.P.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,801(2009) |
| Literature Reference DOI | 10.1248/cpb.57.801 |
| Molecular Weight | 629.748 g/mol |
| Sample ID | 2828 |
| Solvent | CDCl3 |