| SpectraBase Compound ID | 4i05UEHF3VX |
|---|---|
| InChI | InChI=1S/C31H38O11/c1-14(2)30-23(39-25(34)18-11-9-8-10-12-18)16(4)31-19-13-15(3)22(38-17(5)32)29(19,37)26(35)27(6,36)21(33)20(31)24(30)40-28(7,41-30)42-31/h8-13,16,19-24,26,33,35-37H,1H2,2-7H3/t16-,19-,20+,21+,22+,23+,24-,26-,27-,28?,29-,30+,31+/m1/s1 |
| InChIKey | FXKHDWHXSDKVTN-VDYYKXBLSA-N |
| Mol Weight | 586.6 g/mol |
| Molecular Formula | C31H38O11 |
| Exact Mass | 586.241412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rIfshUcVyj |
|---|---|
| Name | TRIGONOTHYRIN-G |
| Compound Number | 68 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O11 |
| InChI | InChI=1S/C31H38O11/c1-14(2)30-23(39-25(34)18-11-9-8-10-12-18)16(4)31-19-13-15(3)22(38-17(5)32)29(19,37)26(35)27(6,36)21(33)20(31)24(30)40-28(7,41-30)42-31/h8-13,16,19-24,26,33,35-37H,1H2,2-7H3/t16-,19-,20+,21+,22+,23+,24-,26-,27-,28?,29-,30+,31+/m1/s1 |
| InChIKey | FXKHDWHXSDKVTN-VDYYKXBLSA-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 | 586.636 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13519 |