| SpectraBase Compound ID | 8PeLR33L9KT |
|---|---|
| InChI | InChI=1S/C40H46O13/c1-20(2)39(52-35(46)27-17-13-10-14-18-27)31(48-23(5)41)22(4)38(47)28-19-21(3)30(44)40(28)36(51-34(45)26-15-11-9-12-16-26)37(8,53-40)32(49-24(6)42)29(38)33(39)50-25(7)43/h9-18,21-22,28-33,36,44,47H,1,19H2,2-8H3/t21-,22+,28-,29-,30-,31-,32-,33+,36+,37+,38-,39-,40+/m0/s1 |
| InChIKey | OKLWSKVRHPYESG-OCTBZWLUSA-N |
| Mol Weight | 734.8 g/mol |
| Molecular Formula | C40H46O13 |
| Exact Mass | 734.293842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HfUYOKgrWDl |
|---|---|
| Name | TRIGOCHININ-A |
| Compound Number | 106 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46O13 |
| InChI | InChI=1S/C40H46O13/c1-20(2)39(52-35(46)27-17-13-10-14-18-27)31(48-23(5)41)22(4)38(47)28-19-21(3)30(44)40(28)36(51-34(45)26-15-11-9-12-16-26)37(8,53-40)32(49-24(6)42)29(38)33(39)50-25(7)43/h9-18,21-22,28-33,36,44,47H,1,19H2,2-8H3/t21-,22+,28-,29-,30-,31-,32-,33+,36+,37+,38-,39-,40+/m0/s1 |
| InChIKey | OKLWSKVRHPYESG-OCTBZWLUSA-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 | 734.797 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13557 |