| SpectraBase Compound ID | IKxKEhKq7TZ |
|---|---|
| InChI | InChI=1S/C30H32O13/c1-27-13-29(37)19-11-30(27,28(19,26(42-27)43-29)14-39-24(36)16-7-9-17(31)10-8-16)41-25-22(34)21(33)20(32)18(40-25)12-38-23(35)15-5-3-2-4-6-15/h2-10,18-22,25-26,31-34,37H,11-14H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28-,29-,30+/m0/s1 |
| InChIKey | VIWQCBZFJFSCLC-XAOWELIXSA-N |
| Mol Weight | 600.6 g/mol |
| Molecular Formula | C30H32O13 |
| Exact Mass | 600.184291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XOvqmR7fCk |
|---|---|
| Name | BENZOYLOXY-PAEONIFLORIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H32O13 |
| InChI | InChI=1S/C30H32O13/c1-27-13-29(37)19-11-30(27,28(19,26(42-27)43-29)14-39-24(36)16-7-9-17(31)10-8-16)41-25-22(34)21(33)20(32)18(40-25)12-38-23(35)15-5-3-2-4-6-15/h2-10,18-22,25-26,31-34,37H,11-14H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28-,29-,30+/m0/s1 |
| InChIKey | VIWQCBZFJFSCLC-XAOWELIXSA-N |
| Literature Reference Author | L.DING,Z.JIANG,Y.LIU,L.CHEN,Q.ZHAO,X.YAO,F.ZHAO,F.QIU |
| Literature Reference Citation | FITOTERAPIA,83,1598(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2012.09.008 |
| Molecular Weight | 600.576 g/mol |
| Sample ID | 72108 |
| Solvent | CD3OD |