| SpectraBase Compound ID | 8rqLjJDcn9g |
|---|---|
| InChI | InChI=1S/C28H40O19/c1-41-13-6-11(2-4-12(13)32)3-5-17(33)42-9-16-24(45-26-22(38)20(36)18(34)14(7-29)43-26)21(37)23(39)27(44-16)47-28(10-31)25(40)19(35)15(8-30)46-28/h2-6,14-16,18-27,29-32,34-40H,7-10H2,1H3/b5-3+/t14?,15-,16+,18?,19-,20?,21+,22?,23+,24+,25+,26?,27?,28+/m1/s1 |
| InChIKey | HJOWJPKSXXCWBK-WDEBIKHXSA-N |
| Mol Weight | 680.6 g/mol |
| Molecular Formula | C28H40O19 |
| Exact Mass | 680.216379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2qq55vMMSCA |
|---|---|
| Name | ARILLATOSE-C;O-BETA-D-GLUCOPYRANOSYL-(1->3)-6-O-FERULOYL-ALPHA-D-GLUCOPYRANOSYL-BETA-D-FRUCTOFURANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O19 |
| InChI | InChI=1S/C28H40O19/c1-41-13-6-11(2-4-12(13)32)3-5-17(33)42-9-16-24(45-26-22(38)20(36)18(34)14(7-29)43-26)21(37)23(39)27(44-16)47-28(10-31)25(40)19(35)15(8-30)46-28/h2-6,14-16,18-27,29-32,34-40H,7-10H2,1H3/b5-3+/t14?,15-,16+,18?,19-,20?,21+,22?,23+,24+,25+,26?,27?,28+/m1/s1 |
| InChIKey | HJOWJPKSXXCWBK-WDEBIKHXSA-N |
| Literature Reference Author | W.KOBAYASHI,T.MIYASE,S.SUZUKI,H.NOGUCHI,X.M.CHEN |
| Literature Reference Citation | J.NAT.PROD.,63,1066(2000) |
| Literature Reference DOI | 10.1021/np0000567 |
| Molecular Weight | 680.614 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU7349 |