| SpectraBase Compound ID | GXDHc3OtVNK |
|---|---|
| InChI | InChI=1S/C36H40O10/c1-18(2)35-26-20(4)34(40)23-17-19(3)25(37)36(23)31(42-30(39)22-15-11-8-12-16-22)32(5,45-36)27(41-29(38)21-13-9-7-10-14-21)24(34)28(35)44-33(6,43-26)46-35/h7-16,19-20,23-28,31,37,40H,1,17H2,2-6H3/t19-,20+,23-,24-,25-,26-,27-,28+,31+,32+,33?,34-,35-,36+/m0/s1 |
| InChIKey | DQPAGBJVBCNUEW-YTJFDAOQSA-N |
| Mol Weight | 632.7 g/mol |
| Molecular Formula | C36H40O10 |
| Exact Mass | 632.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HyRKkieVQxJ |
|---|---|
| Name | TRIGONOTHYRIN-B |
| Compound Number | 94 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H40O10 |
| InChI | InChI=1S/C36H40O10/c1-18(2)35-26-20(4)34(40)23-17-19(3)25(37)36(23)31(42-30(39)22-15-11-8-12-16-22)32(5,45-36)27(41-29(38)21-13-9-7-10-14-21)24(34)28(35)44-33(6,43-26)46-35/h7-16,19-20,23-28,31,37,40H,1,17H2,2-6H3/t19-,20+,23-,24-,25-,26-,27-,28+,31+,32+,33?,34-,35-,36+/m0/s1 |
| InChIKey | DQPAGBJVBCNUEW-YTJFDAOQSA-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 | 632.708 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13545 |