| SpectraBase Compound ID | HEDQmMFZiLt |
|---|---|
| InChI | InChI=1S/C21H32O14/c1-20(29)3-2-8-9(16(27)28)4-31-17(11(8)20)35-18-14(25)13(24)12(23)10(34-18)5-32-19-15(26)21(30,6-22)7-33-19/h4,8,10-15,17-19,22-26,29-30H,2-3,5-7H2,1H3,(H,27,28)/t8-,10+,11-,12+,13-,14+,15-,17+,18-,19+,20+,21+/m1/s1 |
| InChIKey | PKYZXILKVBMCRQ-PGDQYZQKSA-N |
| Mol Weight | 508.5 g/mol |
| Molecular Formula | C21H32O14 |
| Exact Mass | 508.179206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25uPCACNBNI |
|---|---|
| Name | 6-O-BETA-D-APPIOFURANOSYL-MUSSAENOSIDIC-ACID |
| Compound Number | 174 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O14 |
| InChI | InChI=1S/C21H32O14/c1-20(29)3-2-8-9(16(27)28)4-31-17(11(8)20)35-18-14(25)13(24)12(23)10(34-18)5-32-19-15(26)21(30,6-22)7-33-19/h4,8,10-15,17-19,22-26,29-30H,2-3,5-7H2,1H3,(H,27,28)/t8-,10+,11-,12+,13-,14+,15-,17+,18-,19+,20+,21+/m1/s1 |
| InChIKey | PKYZXILKVBMCRQ-PGDQYZQKSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 508.477 g/mol |
| Sample ID | 37970 |
| Solvent | CD3OD |