| SpectraBase Compound ID | 3hnrYnySZZo |
|---|---|
| InChI | InChI=1S/C28H36O17/c1-9(25(38)39)13(30)6-12-16(26(40)41)17(31)10-4-2-3-5-11(10)24(12)45-28-23(37)21(35)19(33)15(44-28)8-42-27-22(36)20(34)18(32)14(7-29)43-27/h2-5,9,13-15,18-23,27-37H,6-8H2,1H3,(H,38,39)(H,40,41)/t9?,13?,14-,15-,18-,19-,20+,21+,22-,23-,27-,28+/m0/s1 |
| InChIKey | WZGSXPQLFKLLAL-SDRIQSTQSA-N |
| Mol Weight | 644.6 g/mol |
| Molecular Formula | C28H36O17 |
| Exact Mass | 644.19525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7FlSh4AJNz |
|---|---|
| Name | RUBINAPHTHIN-D;2-CARBOXY-3-(3'-CARBOXY-2'-HYDROXY)-BUTYL-1,4-NAPHTHOHYDROQUINONE-4-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O17 |
| InChI | InChI=1S/C28H36O17/c1-9(25(38)39)13(30)6-12-16(26(40)41)17(31)10-4-2-3-5-11(10)24(12)45-28-23(37)21(35)19(33)15(44-28)8-42-27-22(36)20(34)18(32)14(7-29)43-27/h2-5,9,13-15,18-23,27-37H,6-8H2,1H3,(H,38,39)(H,40,41)/t9?,13?,14-,15-,18-,19-,20+,21+,22-,23-,27-,28+/m0/s1 |
| InChIKey | WZGSXPQLFKLLAL-SDRIQSTQSA-N |
| Literature Reference Author | M.J.LIOU,P.L.WU,T.S.WU |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,276(2002) |
| Literature Reference DOI | 10.1248/cpb.50.276 |
| Molecular Weight | 644.584 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN7906 |