| SpectraBase Compound ID | 3BJvWpMULND |
|---|---|
| InChI | InChI=1S/C34H38O9/c1-17(2)32-25(39-28(36)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,38)29(37)30(5)26(40-30)23(33)27(32)41-34(42-32,43-33)21-14-10-7-11-15-21/h6-15,18-19,22-27,29,35,37-38H,1,16H2,2-5H3/t18-,19+,22+,23-,24-,25-,26-,27+,29+,30-,31+,32-,33-,34+/m0/s1 |
| InChIKey | VOVLVSQLMDTVFG-NKUBGPCUSA-N |
| Mol Weight | 590.7 g/mol |
| Molecular Formula | C34H38O9 |
| Exact Mass | 590.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6CJHd2qyv57 |
|---|---|
| Name | TRIGONOSIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H38O9 |
| InChI | InChI=1S/C34H38O9/c1-17(2)32-25(39-28(36)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,38)29(37)30(5)26(40-30)23(33)27(32)41-34(42-32,43-33)21-14-10-7-11-15-21/h6-15,18-19,22-27,29,35,37-38H,1,16H2,2-5H3/t18-,19+,22+,23-,24-,25-,26-,27+,29+,30-,31+,32-,33-,34+/m0/s1 |
| InChIKey | VOVLVSQLMDTVFG-NKUBGPCUSA-N |
| Literature Reference Author | S.F.LI,Y.T.DI,S.L.LI,Y.ZHANG,F.M.YANG,Q.Y.SUN,J.M.SIMO,H.P.H E,X.J.HAO |
| Literature Reference Citation | J.NAT.PROD.,74,464(2011) |
| Literature Reference DOI | 10.1021/np1006444 |
| Molecular Weight | 590.670 g/mol |
| Sample ID | 37601 |
| Solvent | CDCl3 |