| SpectraBase Compound ID | B7DZzwfmibJ |
|---|---|
| InChI | InChI=1S/C27H30O13/c1-10-15(7-13-17(25(10)36-2)19(30)12-6-4-3-5-11(12)18(13)29)39-27-24(35)22(33)21(32)16(40-27)9-38-26-23(34)20(31)14(28)8-37-26/h3-7,14,16,20-24,26-28,31-35H,8-9H2,1-2H3/t14-,16-,20+,21-,22+,23-,24-,26+,27-/m1/s1 |
| InChIKey | HPTOQSCKOYXXPI-ALLCIABXSA-N |
| Mol Weight | 562.52 g/mol |
| Molecular Formula | C27H30O13 |
| Exact Mass | 562.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2NYm6le3Sij |
|---|---|
| Name | RUBIADIN-1-METHYLETHER-3-O-BETA-PRIMEVEROSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O13 |
| InChI | InChI=1S/C27H30O13/c1-10-15(7-13-17(25(10)36-2)19(30)12-6-4-3-5-11(12)18(13)29)39-27-24(35)22(33)21(32)16(40-27)9-38-26-23(34)20(31)14(28)8-37-26/h3-7,14,16,20-24,26-28,31-35H,8-9H2,1-2H3/t14-,16-,20+,21-,22+,23-,24-,26+,27-/m1/s1 |
| InChIKey | HPTOQSCKOYXXPI-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 | 562.527 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU446 |