| SpectraBase Compound ID | B11q01b9OJn |
|---|---|
| InChI | InChI=1S/C34H40O10/c1-17(2)32-26(41-28(37)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,40)29(38)30(5,39)25(36)23(33)27(32)42-34(43-32,44-33)21-14-10-7-11-15-21/h6-15,18-19,22-27,29,35-36,38-40H,1,16H2,2-5H3/t18-,19+,22+,23-,24-,25+,26-,27+,29+,30+,31+,32-,33-,34-/m0/s1 |
| InChIKey | QAXWNKPPCNIRQP-QUNPSNFPSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C34H40O10 |
| Exact Mass | 608.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30T8uktFYGq |
|---|---|
| Name | TRIGONOSIN_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H40O10 |
| InChI | InChI=1S/C34H40O10/c1-17(2)32-26(41-28(37)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,40)29(38)30(5,39)25(36)23(33)27(32)42-34(43-32,44-33)21-14-10-7-11-15-21/h6-15,18-19,22-27,29,35-36,38-40H,1,16H2,2-5H3/t18-,19+,22+,23-,24-,25+,26-,27+,29+,30+,31+,32-,33-,34-/m0/s1 |
| InChIKey | QAXWNKPPCNIRQP-QUNPSNFPSA-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 | 608.686 g/mol |
| Sample ID | 37603 |
| Solvent | CDCl3 |