| SpectraBase Compound ID | 494D5t37Rzz |
|---|---|
| InChI | InChI=1S/C29H36O16/c30-11-19-22(36)24(38)25(39)29(44-19)42-18-5-2-13(10-17(18)34)3-6-21(35)45-27-23(37)20(12-31)43-28(26(27)40)41-8-7-14-1-4-15(32)16(33)9-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 |
| InChIKey | PXALJEZISJBADA-BIMUYNONSA-N |
| Mol Weight | 640.6 g/mol |
| Molecular Formula | C29H36O16 |
| Exact Mass | 640.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LnzSv4e7iL6 |
|---|---|
| Name | CHIRITOSIDE-A |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O16 |
| InChI | InChI=1S/C29H36O16/c30-11-19-22(36)24(38)25(39)29(44-19)42-18-5-2-13(10-17(18)34)3-6-21(35)45-27-23(37)20(12-31)43-28(26(27)40)41-8-7-14-1-4-15(32)16(33)9-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 |
| InChIKey | PXALJEZISJBADA-BIMUYNONSA-N |
| Literature Reference Author | S.DAMTOFT,S.R.JENSEN |
| Literature Reference Citation | PHYTOCHEM.,37,441(1994) |
| Literature Reference DOI | 10.1016/0031-9422(94)85075-5 |
| Molecular Weight | 640.595 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU23118 |