| SpectraBase Compound ID | HelCV14jaXe |
|---|---|
| InChI | InChI=1S/C29H34O17/c1-9-17(33)20(36)22(38)28(43-9)42-8-15-18(34)21(37)23(39)29(44-15)46-27-19(35)16-12(31)7-13(32)25(41-3)26(16)45-24(27)10-4-5-11(30)14(6-10)40-2/h4-7,9,15,17-18,20-23,28-34,36-39H,8H2,1-3H3/t9-,15+,17-,18+,20+,21-,22?,23+,28+,29-/m1/s1 |
| InChIKey | SCMBTGLLYCNHPV-NMKUUKOASA-N |
| Mol Weight | 654.6 g/mol |
| Molecular Formula | C29H34O17 |
| Exact Mass | 654.1796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQOkY9pp1YL |
|---|---|
| Name | LIMOCITRIN-3-O-RUTINOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H34O17 |
| InChI | InChI=1S/C29H34O17/c1-9-17(33)20(36)22(38)28(43-9)42-8-15-18(34)21(37)23(39)29(44-15)46-27-19(35)16-12(31)7-13(32)25(41-3)26(16)45-24(27)10-4-5-11(30)14(6-10)40-2/h4-7,9,15,17-18,20-23,28-34,36-39H,8H2,1-3H3/t9-,15+,17-,18+,20+,21-,22?,23+,28+,29-/m1/s1 |
| InChIKey | SCMBTGLLYCNHPV-NMKUUKOASA-N |
| Literature Reference Author | H.ITO,E.NISHITANI,T.KONOSHIMA,M.TAKASAKI,M.KOZUKA,T.YOSHIDA |
| Literature Reference Citation | PHYTOCHEM.,54,695(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00192-8 |
| Molecular Weight | 654.579 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU1410 |