| SpectraBase Compound ID | FXegqHIGrFG |
|---|---|
| InChI | InChI=1S/C38H42O11/c1-19(2)37-28-21(4)36(42)25-18-20(3)27(44-31(40)23-14-10-8-11-15-23)38(25)33(43-22(5)39)34(6,48-38)29(45-32(41)24-16-12-9-13-17-24)26(36)30(37)47-35(7,46-28)49-37/h8-17,20-21,25-30,33,42H,1,18H2,2-7H3/t20-,21+,25-,26-,27-,28-,29-,30+,33+,34+,35?,36-,37-,38+/m0/s1 |
| InChIKey | IXFUQAXURDAWKW-RKRIIBALSA-N |
| Mol Weight | 674.7 g/mol |
| Molecular Formula | C38H42O11 |
| Exact Mass | 674.272712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3taEDRwb7Y2 |
|---|---|
| Name | TRIGONOTHYRIN-A |
| Compound Number | 93 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H42O11 |
| InChI | InChI=1S/C38H42O11/c1-19(2)37-28-21(4)36(42)25-18-20(3)27(44-31(40)23-14-10-8-11-15-23)38(25)33(43-22(5)39)34(6,48-38)29(45-32(41)24-16-12-9-13-17-24)26(36)30(37)47-35(7,46-28)49-37/h8-17,20-21,25-30,33,42H,1,18H2,2-7H3/t20-,21+,25-,26-,27-,28-,29-,30+,33+,34+,35?,36-,37-,38+/m0/s1 |
| InChIKey | IXFUQAXURDAWKW-RKRIIBALSA-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 | 674.745 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13544 |