| SpectraBase Compound ID | 4GSn9ademFD |
|---|---|
| InChI | InChI=1S/C33H43NO9/c1-6-34-16-30(17-39-3)22(36)11-12-32-21-15-31(38)13-14-33(43-18(2)35,24(27(32)34)25(41-5)26(30)32)23(21)28(31)42-29(37)19-7-9-20(40-4)10-8-19/h7-10,13-14,21-28,36,38H,6,11-12,15-17H2,1-5H3/t21-,22-,23-,24+,25+,26-,27-,28-,30-,31-,32-,33-/m1/s1 |
| InChIKey | DOZULYCKMHLZMT-RYZGQWLSSA-N |
| Mol Weight | 597.7 g/mol |
| Molecular Formula | C33H43NO9 |
| Exact Mass | 597.293782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gcvfhe0qCrC |
|---|---|
| Name | 1,16-DIDEMETHOXY-DELTA(15,16)-YUNACONITINE |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H43NO9 |
| InChI | InChI=1S/C33H43NO9/c1-6-34-16-30(17-39-3)22(36)11-12-32-21-15-31(38)13-14-33(43-18(2)35,24(27(32)34)25(41-5)26(30)32)23(21)28(31)42-29(37)19-7-9-20(40-4)10-8-19/h7-10,13-14,21-28,36,38H,6,11-12,15-17H2,1-5H3/t21-,22-,23-,24+,25+,26-,27-,28-,30-,31-,32-,33-/m1/s1 |
| InChIKey | DOZULYCKMHLZMT-RYZGQWLSSA-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 | 597.706 g/mol |
| Sample ID | 2830 |
| Solvent | CDCl3 |