| SpectraBase Compound ID | E5LK32yneDU |
|---|---|
| InChI | InChI=1S/C32H40O16/c1-14-21(37)26(43-15(2)35)27(45-19(36)9-8-16-6-4-3-5-7-16)31(42-14)46-25-17-10-11-41-29(20(17)32(13-34)28(25)48-32)47-30-24(40)23(39)22(38)18(12-33)44-30/h3-11,14,17-18,20-31,33-34,37-40H,12-13H2,1-2H3/b9-8+/t14-,17-,18+,20-,21-,22+,23-,24+,25+,26+,27+,28+,29+,30-,31-,32-/m1/s1 |
| InChIKey | IBXDTZNDJHAVNK-MMJHLLDUSA-N |
| Mol Weight | 680.7 g/mol |
| Molecular Formula | C32H40O16 |
| Exact Mass | 680.231635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FKKC1etxgxT |
|---|---|
| Name | SCORODIOSIDE;6-O-(3''-O-ACETYL-2''-O-TRANS-CINNAMOYL)-ALPHA-L-RHAMNOPYRANOSYL-CATALPOL |
| Compound Number | 86 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O16 |
| InChI | InChI=1S/C32H40O16/c1-14-21(37)26(43-15(2)35)27(45-19(36)9-8-16-6-4-3-5-7-16)31(42-14)46-25-17-10-11-41-29(20(17)32(13-34)28(25)48-32)47-30-24(40)23(39)22(38)18(12-33)44-30/h3-11,14,17-18,20-31,33-34,37-40H,12-13H2,1-2H3/b9-8+/t14-,17-,18+,20-,21-,22+,23-,24+,25+,26+,27+,28+,29+,30-,31-,32-/m1/s1 |
| InChIKey | IBXDTZNDJHAVNK-MMJHLLDUSA-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 | 680.660 g/mol |
| Sample ID | 37883 |
| Solvent | CD3OD |