| SpectraBase Compound ID | LLsc6UKPbM7 |
|---|---|
| InChI | InChI=1S/C27H30O14/c1-9-16(28)21(33)23(35)26(39-9)38-8-14-19(31)22(34)24(36)27(41-14)40-13-7-12-15(25(37-2)20(13)32)18(30)11-6-4-3-5-10(11)17(12)29/h3-7,9,14,16,19,21-24,26-28,31-36H,8H2,1-2H3/t9-,14+,16-,19+,21+,22-,23+,24+,26+,27+/m0/s1 |
| InChIKey | LSHRRCYSPUVUGQ-BFGGPRNPSA-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 | 6omkCf2KJLb |
|---|---|
| Name | ANTHRAGALLOL-1-METHYLETHER-3-O-RUTINOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O14 |
| InChI | InChI=1S/C27H30O14/c1-9-16(28)21(33)23(35)26(39-9)38-8-14-19(31)22(34)24(36)27(41-14)40-13-7-12-15(25(37-2)20(13)32)18(30)11-6-4-3-5-10(11)17(12)29/h3-7,9,14,16,19,21-24,26-28,31-36H,8H2,1-2H3/t9-,14+,16-,19+,21+,22-,23+,24+,26+,27+/m0/s1 |
| InChIKey | LSHRRCYSPUVUGQ-BFGGPRNPSA-N |
| Literature Reference Author | A.A.EL-GAMAL,K.TAKEYA,H.ITOKAWA,A.F.HALIM,M.M.AMER,H.E.A.SAA D,S.A.AWAD |
| Literature Reference Citation | PHYTOCHEM.,42,1149(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00080-5 |
| Molecular Weight | 578.527 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN2981 |