| SpectraBase Compound ID | JUfMcesHLNL |
|---|---|
| InChI | InChI=1S/C39H54O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,23,27-29,31-32,40-41,45H,14,16-22H2,1-7H3,(H,43,44)/b15-10-/t23-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1 |
| InChIKey | BZORLJPADUHVJE-AHJFQOKESA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C39H54O7 |
| Exact Mass | 634.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9pWr4d9x3a |
|---|---|
| Name | 3-O-CIS-PARA-COUMAROYLTORMENTIC-ACID |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O7 |
| InChI | InChI=1S/C39H54O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,23,27-29,31-32,40-41,45H,14,16-22H2,1-7H3,(H,43,44)/b15-10-/t23-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1 |
| InChIKey | BZORLJPADUHVJE-AHJFQOKESA-N |
| Literature Reference Author | S.TANIGUCHI,Y.IMAYOSHI,E.KOBAYASHI,Y.TAKAMATSU,H.ITO,T.HATAN O,H.SAKAGAMI,H.TOKUD |
| Literature Reference Citation | PHYTOCHEM.,59,315(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00455-1 |
| Molecular Weight | 634.854 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN2586 |