| SpectraBase Compound ID | EnYT4INPp2S |
|---|---|
| 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-STSRSXRESA-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 | DhdZ6OfCFK9 |
|---|---|
| Name | TRIGONOSIN-C |
| Compound Number | 23 |
| 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-STSRSXRESA-N |
| Literature Reference Author | H.B.WANG,L.P.LIU,X.Y.WANG |
| Literature Reference Citation | MAGN.RES.CHEM.,51,580(2013) |
| Literature Reference DOI | 10.1002/mrc.3978 |
| Molecular Weight | 608.686 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13475 |