| SpectraBase Compound ID | BH0iuYYzTzg |
|---|---|
| InChI | InChI=1S/2C43H58O8/c2*1-26(2)31-17-22-42(38(47)48)23-24-43(25-49-36(46)16-11-29-9-12-30(13-10-29)50-27(3)44)32(37(31)42)14-15-34-40(7)20-19-35(51-28(4)45)39(5,6)33(40)18-21-41(34,43)8/h2*9-13,16,31-35,37H,1,14-15,17-25H2,2-8H3,(H,47,48)/b2*16-11+/t2*31-,32?,33?,34?,35-,37?,40-,41+,42-,43-/m00/s1 |
| InChIKey | DPVXZRIKUHHOGV-RHEOBVNPSA-N |
| Mol Weight | 1405.9 g/mol |
| Molecular Formula | C86H116O16 |
| Exact Mass | 1404.826338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZAqqNBEaky |
|---|---|
| Name | 3-O-ACETYL-27-O-TRANS-PARA-ACETYL-COUMAROYL-CYLICODISCIC-ACID |
| Compound Number | 13AC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H116O16 |
| InChI | InChI=1S/2C43H58O8/c2*1-26(2)31-17-22-42(38(47)48)23-24-43(25-49-36(46)16-11-29-9-12-30(13-10-29)50-27(3)44)32(37(31)42)14-15-34-40(7)20-19-35(51-28(4)45)39(5,6)33(40)18-21-41(34,43)8/h2*9-13,16,31-35,37H,1,14-15,17-25H2,2-8H3,(H,47,48)/b2*16-11+/t2*31-,32?,33?,34?,35-,37?,40-,41+,42-,43-/m00/s1 |
| InChIKey | DPVXZRIKUHHOGV-RHEOBVNPSA-N |
| Literature Reference Author | D.A.G.CORTEZ,M.C.M.YOUNG,A.MARSTON,J.L.WOLFENDER,K.HOSTETTMA NN |
| Literature Reference Citation | PHYTOCHEM.,47,1367(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00731-0 |
| Molecular Weight | 1405.857 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS761 |