| SpectraBase Compound ID | 4HQ3FBNDOQX |
|---|---|
| InChI | InChI=1S/C28H30O16/c1-10(29)39-9-20-22(36)23(37)26(44-27-24(38)21(35)17(34)8-40-27)28(43-20)42-19-7-13-15(32)5-12(30)6-18(13)41-25(19)11-2-3-14(31)16(33)4-11/h2-7,17,20-24,26-28,34-38H,8-9H2,1H3,(H3-,30,31,32,33)/p+1/t17-,20-,21+,22-,23+,24-,26-,27+,28-/m1/s1 |
| InChIKey | UCXVISAAKKHFGU-OSUYLXCRSA-O |
| Mol Weight | 623.54 g/mol |
| Molecular Formula | C28H31O16 |
| Exact Mass | 623.16121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AmJjiwgHtTJ |
|---|---|
| Name | CYANIDIN-3-O-(2-O-BETA-XYLOPYRANOSYL-6-O-ACETYL)-BETA-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H31O16 |
| InChI | InChI=1S/C28H30O16/c1-10(29)39-9-20-22(36)23(37)26(44-27-24(38)21(35)17(34)8-40-27)28(43-20)42-19-7-13-15(32)5-12(30)6-18(13)41-25(19)11-2-3-14(31)16(33)4-11/h2-7,17,20-24,26-28,34-38H,8-9H2,1H3,(H3-,30,31,32,33)/p+1/t17-,20-,21+,22-,23+,24-,26-,27+,28-/m1/s1 |
| InChIKey | UCXVISAAKKHFGU-OSUYLXCRSA-O |
| Literature Reference Author | J.B.LI,F.HASHIMOTO,K.SHIMIZU,Y.SAKATA |
| Literature Reference Citation | PHYTOCHEM.,69,3166(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.03.014 |
| Molecular Weight | 623.545 g/mol |
| Sample ID | 63897 |
| Solvent | CD3OD |