| SpectraBase Compound ID | 667Z5HQJjJT |
|---|---|
| InChI | InChI=1S/C26H28O13/c1-9-14(6-12-16(17(9)28)19(30)11-5-3-2-4-10(11)18(12)29)38-26-24(35)22(33)21(32)15(39-26)8-37-25-23(34)20(31)13(27)7-36-25/h2-6,13,15,20-28,31-35H,7-8H2,1H3/t13-,15-,20+,21-,22+,23-,24-,25+,26-/m1/s1 |
| InChIKey | MICKPSHQKPCYJH-WFLOGZPDSA-N |
| Mol Weight | 548.5 g/mol |
| Molecular Formula | C26H28O13 |
| Exact Mass | 548.152991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7kFwVkCnZyr |
|---|---|
| Name | RUBIADIN-3-O-BETA-PRIMEVEROSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H28O13 |
| InChI | InChI=1S/C26H28O13/c1-9-14(6-12-16(17(9)28)19(30)11-5-3-2-4-10(11)18(12)29)38-26-24(35)22(33)21(32)15(39-26)8-37-25-23(34)20(31)13(27)7-36-25/h2-6,13,15,20-28,31-35H,7-8H2,1H3/t13-,15-,20+,21-,22+,23-,24-,25+,26-/m1/s1 |
| InChIKey | MICKPSHQKPCYJH-WFLOGZPDSA-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 | 548.501 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU448 |