| SpectraBase Compound ID | I5XPr6GDKnR |
|---|---|
| InChI | InChI=1S/C27H30O16/c1-38-16-3-9(2-13(31)19(16)33)24-17(6-11-12(30)4-10(29)5-15(11)40-24)41-27-25(22(36)21(35)18(7-28)42-27)43-26-23(37)20(34)14(32)8-39-26/h2-6,14,18,20-23,25-28,32,34-37H,7-8H2,1H3,(H3-,29,30,31,33)/p+1/t14-,18-,20+,21-,22+,23-,25-,26+,27-/m0/s1 |
| InChIKey | GUVCTUQWASBOTK-NEWZCPHZSA-O |
| Mol Weight | 611.53 g/mol |
| Molecular Formula | C27H31O16 |
| Exact Mass | 611.16121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1sadJoXboah |
|---|---|
| Name | PETUNIDIN-3-O-SAMBUBIOSIDE;PETUNIDIN-3-O-(2''-O-BETA-XYLOPYRANOSYL-O-BETA-GLUCOPYRANOSIDE) |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H31O16 |
| InChI | InChI=1S/C27H30O16/c1-38-16-3-9(2-13(31)19(16)33)24-17(6-11-12(30)4-10(29)5-15(11)40-24)41-27-25(22(36)21(35)18(7-28)42-27)43-26-23(37)20(34)14(32)8-39-26/h2-6,14,18,20-23,25-28,32,34-37H,7-8H2,1H3,(H3-,29,30,31,33)/p+1/t14-,18-,20+,21-,22+,23-,25-,26+,27-/m0/s1 |
| InChIKey | GUVCTUQWASBOTK-NEWZCPHZSA-O |
| Literature Reference Author | L.CABRITA,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,52,1693(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00281-2 |
| Molecular Weight | 611.534 g/mol |
| Solvent | CD3OD:CF3COOD=95:5 |
| Source File Reference | UWVN335 |