| SpectraBase Compound ID | C0d9PLKEeaM |
|---|---|
| InChI | InChI=1S/C35H44O13/c1-16(2)34(47-30(41)23-13-11-10-12-14-23)27(43-19(5)36)18(4)33(42)24-15-17(3)26(40)35(24)31(46-22(8)39)32(9,48-35)28(44-20(6)37)25(33)29(34)45-21(7)38/h10-14,17-18,24-29,31,40,42H,1,15H2,2-9H3/t17-,18+,24-,25-,26-,27-,28-,29+,31+,32+,33-,34-,35+/m0/s1 |
| InChIKey | KVIMJUOJUPPRJA-VKDFNBAQSA-N |
| Mol Weight | 672.7 g/mol |
| Molecular Formula | C35H44O13 |
| Exact Mass | 672.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8cm54HxE5Xr |
|---|---|
| Name | TRIGONOTHYRIN-E |
| Compound Number | 105 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44O13 |
| InChI | InChI=1S/C35H44O13/c1-16(2)34(47-30(41)23-13-11-10-12-14-23)27(43-19(5)36)18(4)33(42)24-15-17(3)26(40)35(24)31(46-22(8)39)32(9,48-35)28(44-20(6)37)25(33)29(34)45-21(7)38/h10-14,17-18,24-29,31,40,42H,1,15H2,2-9H3/t17-,18+,24-,25-,26-,27-,28-,29+,31+,32+,33-,34-,35+/m0/s1 |
| InChIKey | KVIMJUOJUPPRJA-VKDFNBAQSA-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 | 672.727 g/mol |
| Solvent | CD3CN |
| Source File Reference | UWIR13556 |