| SpectraBase Compound ID | 67OLkLLjgJ5 |
|---|---|
| InChI | InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m1/s1 |
| InChIKey | VVSFMIXQNYRGMG-JRQHNPQYSA-N |
| Mol Weight | 638.6 g/mol |
| Molecular Formula | C29H34O16 |
| Exact Mass | 638.184685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Ieqym0xJzJ |
|---|---|
| Name | OMBUINE-3-O-RUTINOSIDE |
| Compound Number | 40 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H34O16 |
| InChI | InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m1/s1 |
| InChIKey | VVSFMIXQNYRGMG-JRQHNPQYSA-N |
| Literature Reference Author | H.MATSUDA,T.MORIKAWA,I.TOGUCHIDA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,788(2002) |
| Literature Reference DOI | 10.1248/cpb.50.788 |
| Molecular Weight | 638.579 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN8207 |