| SpectraBase Compound ID | iYPhZfMlOX |
|---|---|
| InChI | InChI=1S/C34H38O10/c1-17(2)32-25(40-28(37)20-11-7-5-8-12-20)19(4)33-22-15-18(3)24(36)31(22,39)29(38)30(16-35)26(41-30)23(33)27(32)42-34(43-32,44-33)21-13-9-6-10-14-21/h5-14,18-19,22-27,29,35-36,38-39H,1,15-16H2,2-4H3/t18-,19+,22+,23-,24-,25-,26-,27+,29+,30-,31+,32-,33-,34+/m0/s1 |
| InChIKey | ZNOMLFYNXQOJQV-NKUBGPCUSA-N |
| Mol Weight | 606.7 g/mol |
| Molecular Formula | C34H38O10 |
| Exact Mass | 606.246497 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KW6BJmLHZhQ |
|---|---|
| Name | TRIGONOSIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H38O10 |
| InChI | InChI=1S/C34H38O10/c1-17(2)32-25(40-28(37)20-11-7-5-8-12-20)19(4)33-22-15-18(3)24(36)31(22,39)29(38)30(16-35)26(41-30)23(33)27(32)42-34(43-32,44-33)21-13-9-6-10-14-21/h5-14,18-19,22-27,29,35-36,38-39H,1,15-16H2,2-4H3/t18-,19+,22+,23-,24-,25-,26-,27+,29+,30-,31+,32-,33-,34+/m0/s1 |
| InChIKey | ZNOMLFYNXQOJQV-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 | 606.670 g/mol |
| Sample ID | 37602 |
| Solvent | CDCl3 |