| SpectraBase Compound ID | 7QR6LEaGUmn |
|---|---|
| InChI | InChI=1S/C37H46O14/c1-17(2)36(50-32(43)25-14-12-11-13-15-25)29(46-21(6)39)19(4)35(44)26-16-18(3)28(45-20(5)38)37(26)33(49-24(9)42)34(10,51-37)30(47-22(7)40)27(35)31(36)48-23(8)41/h11-15,18-19,26-31,33,44H,1,16H2,2-10H3/t18-,19+,26-,27-,28-,29-,30-,31+,33+,34+,35-,36-,37+/m0/s1 |
| InChIKey | LBHUCMJWTBGOHY-WWWIWWQGSA-N |
| Mol Weight | 714.8 g/mol |
| Molecular Formula | C37H46O14 |
| Exact Mass | 714.288756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZ8oJp9JAuR |
|---|---|
| Name | TRIGONOTHYRIN-D |
| Compound Number | 104 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H46O14 |
| InChI | InChI=1S/C37H46O14/c1-17(2)36(50-32(43)25-14-12-11-13-15-25)29(46-21(6)39)19(4)35(44)26-16-18(3)28(45-20(5)38)37(26)33(49-24(9)42)34(10,51-37)30(47-22(7)40)27(35)31(36)48-23(8)41/h11-15,18-19,26-31,33,44H,1,16H2,2-10H3/t18-,19+,26-,27-,28-,29-,30-,31+,33+,34+,35-,36-,37+/m0/s1 |
| InChIKey | LBHUCMJWTBGOHY-WWWIWWQGSA-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 | 714.764 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13555 |