| SpectraBase Compound ID | 2x7dE5IOS47 |
|---|---|
| InChI | InChI=1S/C26H34O12/c1-12-7-15(27)10-25(3,4)26(12,35)6-5-13(2)37-24-22(33)21(32)20(31)18(38-24)11-36-23(34)14-8-16(28)19(30)17(29)9-14/h5-9,13,18,20-22,24,28-33,35H,10-11H2,1-4H3/b6-5+/t13-,18-,20-,21+,22-,24-,26-/m1/s1 |
| InChIKey | CFHLLMJNDISYRP-XIXHQSTFSA-N |
| Mol Weight | 538.5 g/mol |
| Molecular Formula | C26H34O12 |
| Exact Mass | 538.205027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EAKU06m55t3 |
|---|---|
| Name | MALLOPHENOL-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H34O12 |
| InChI | InChI=1S/C26H34O12/c1-12-7-15(27)10-25(3,4)26(12,35)6-5-13(2)37-24-22(33)21(32)20(31)18(38-24)11-36-23(34)14-8-16(28)19(30)17(29)9-14/h5-9,13,18,20-22,24,28-33,35H,10-11H2,1-4H3/b6-5+/t13-,18-,20-,21+,22-,24-,26-/m1/s1 |
| InChIKey | CFHLLMJNDISYRP-XIXHQSTFSA-N |
| Literature Reference Author | K.MATSUNAMI,I.TAKAMORI,T.SHINZATO,M.ARAMOTO,K.KONDO,H.OTSUKA ,Y.TAKEDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1403(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1403 |
| Molecular Weight | 538.549 g/mol |
| Sample ID | 55246 |
| Solvent | CD3OD |