| SpectraBase Compound ID | CCr6wJCyMJO |
|---|---|
| InChI | InChI=1S/C27H30O14/c1-37-25-13(7-28)15(6-12-17(25)19(31)11-5-3-2-4-10(11)18(12)30)40-27-24(36)22(34)21(33)16(41-27)9-39-26-23(35)20(32)14(29)8-38-26/h2-6,14,16,20-24,26-29,32-36H,7-9H2,1H3/t14-,16-,20+,21-,22+,23-,24-,26+,27-/m1/s1 |
| InChIKey | XXKWBXGHSBIVHQ-ALLCIABXSA-N |
| Mol Weight | 578.52 g/mol |
| Molecular Formula | C27H30O14 |
| Exact Mass | 578.163556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16T1U5KtFi8 |
|---|---|
| Name | DAMNACANTHOL-3-O-BETA-PRIMEVEROSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O14 |
| InChI | InChI=1S/C27H30O14/c1-37-25-13(7-28)15(6-12-17(25)19(31)11-5-3-2-4-10(11)18(12)30)40-27-24(36)22(34)21(33)16(41-27)9-39-26-23(35)20(32)14(29)8-38-26/h2-6,14,16,20-24,26-29,32-36H,7-9H2,1H3/t14-,16-,20+,21-,22+,23-,24-,26+,27-/m1/s1 |
| InChIKey | XXKWBXGHSBIVHQ-ALLCIABXSA-N |
| Literature Reference Author | Y.LU,P.J.XU,Z.N.CHEN,G.M.LIU |
| Literature Reference Citation | PHYTOCHEM.,49,1135(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00079-X |
| Molecular Weight | 578.527 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU449 |