![PETUNIDIN-3-O-BETA-D-GLUCOPYRANOSIDE-5-O-BETA-D-[6-O-ACETYLGLUCOPYRANOSIDE]](/api/spectrum/iXaF6BQtwC/structure.png?h=300&w=458 "PETUNIDIN-3-O-BETA-D-GLUCOPYRANOSIDE-5-O-BETA-D-[6-O-ACETYLGLUCOPYRANOSIDE]")
| SpectraBase Compound ID | 3v71cfs2Itk |
|---|---|
| InChI | InChI=1S/C30H34O18/c1-10(32)43-9-20-23(37)25(39)27(41)29(48-20)45-16-6-12(33)5-15-13(16)7-18(46-30-26(40)24(38)22(36)19(8-31)47-30)28(44-15)11-3-14(34)21(35)17(4-11)42-2/h3-7,19-20,22-27,29-31,36-41H,8-9H2,1-2H3,(H2-,33,34,35)/p+1/t19-,20-,22-,23-,24+,25+,26-,27-,29-,30-/m0/s1 |
| InChIKey | BPHSJTQXYOIEMV-URWJCCPYSA-O |
| Mol Weight | 683.6 g/mol |
| Molecular Formula | C30H35O18 |
| Exact Mass | 683.182339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | iXaF6BQtwC |
|---|---|
| Name | PETUNIDIN-3-O-BETA-D-GLUCOPYRANOSIDE-5-O-BETA-D-[6-O-ACETYLGLUCOPYRANOSIDE] |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H35O18 |
| InChI | InChI=1S/C30H34O18/c1-10(32)43-9-20-23(37)25(39)27(41)29(48-20)45-16-6-12(33)5-15-13(16)7-18(46-30-26(40)24(38)22(36)19(8-31)47-30)28(44-15)11-3-14(34)21(35)17(4-11)42-2/h3-7,19-20,22-27,29-31,36-41H,8-9H2,1-2H3,(H2-,33,34,35)/p+1/t19-,20-,22-,23-,24+,25+,26-,27-,29-,30-/m0/s1 |
| InChIKey | BPHSJTQXYOIEMV-URWJCCPYSA-O |
| Literature Reference Author | K.A.MITCHELL,K.R.MARKHAM,M.R.BOASE |
| Literature Reference Citation | PHYTOCHEM.,47,355(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00595-5 |
| Molecular Weight | 683.597 g/mol |
| Solvent | CD3OD:CF3COOD=19:1 |
| Source File Reference | UWMS124 |