| SpectraBase Compound ID | 24pKVsbR5O |
|---|---|
| InChI | InChI=1S/C31H40O19/c1-12(32)41-11-20-23(43-13(2)33)25(45-15(4)35)26(46-16(5)36)30(48-20)49-29-22-21(19(10-42-29)28(39)40-9)24(44-14(3)34)27(47-17(6)37)31(22,8)50-18(7)38/h10,20-27,29-30H,11H2,1-9H3/t20-,21?,22?,23-,24-,25+,26-,27-,29-,30+,31-/m0/s1 |
| InChIKey | WKNCLGFBEXUBDQ-FWNUIEPASA-N |
| Mol Weight | 716.6 g/mol |
| Molecular Formula | C31H40O19 |
| Exact Mass | 716.216379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KgeY6Sv3qb |
|---|---|
| Name | SCHISMOSIDE-HEPTAACETATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O19 |
| InChI | InChI=1S/C31H40O19/c1-12(32)41-11-20-23(43-13(2)33)25(45-15(4)35)26(46-16(5)36)30(48-20)49-29-22-21(19(10-42-29)28(39)40-9)24(44-14(3)34)27(47-17(6)37)31(22,8)50-18(7)38/h10,20-27,29-30H,11H2,1-9H3/t20-,21?,22?,23-,24-,25+,26-,27-,29-,30+,31-/m0/s1 |
| InChIKey | WKNCLGFBEXUBDQ-FWNUIEPASA-N |
| Literature Reference Author | S.DAMTOFT,S.R.JENSEN,B.J.NIELSEN |
| Literature Reference Citation | PHYTOCHEM.,32,885(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85224-F |
| Molecular Weight | 716.647 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6212 |