| SpectraBase Compound ID | ITPOEvZFeMs |
|---|---|
| InChI | InChI=1S/C28H34O11/c1-16-20(29)21(30)23(32)28(37-16)36-15-19-25(39-26(34)18-12-6-3-7-13-18)22(31)24(33)27(38-19)35-14-8-11-17-9-4-2-5-10-17/h2-13,16,19-25,27-33H,14-15H2,1H3/b11-8+/t16-,19-,20-,21+,22-,23+,24-,25-,27-,28+/m0/s1 |
| InChIKey | ZUWHAGVBECTFRF-QZASMECNSA-N |
| Mol Weight | 546.6 g/mol |
| Molecular Formula | C28H34O11 |
| Exact Mass | 546.210112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2IQr6oligLT |
|---|---|
| Name | CINNAMRUTINOSE-B;4'-O-BENZOYL-1'-BETA-O-CINNAMYLRUTINOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34O11 |
| InChI | InChI=1S/C28H34O11/c1-16-20(29)21(30)23(32)28(37-16)36-15-19-25(39-26(34)18-12-6-3-7-13-18)22(31)24(33)27(38-19)35-14-8-11-17-9-4-2-5-10-17/h2-13,16,19-25,27-33H,14-15H2,1H3/b11-8+/t16-,19-,20-,21+,22-,23+,24-,25-,27-,28+/m0/s1 |
| InChIKey | ZUWHAGVBECTFRF-QZASMECNSA-N |
| Literature Reference Author | A.JOSSANG,P.JOSSANG,B.BODO |
| Literature Reference Citation | PHYTOCHEM.,35,547(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94801-5 |
| Molecular Weight | 546.571 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU24623 |