![PELARGONIDIN-3-O-(6''-O-(2'''-O-ACETYL-ALPHA-RHAMNOPYRANOSYL)-BETA-GLUCOPYRANOSIDE]](/api/spectrum/IbjtSBey2fd/structure.png?h=300&w=458 "PELARGONIDIN-3-O-(6''-O-(2'''-O-ACETYL-ALPHA-RHAMNOPYRANOSYL)-BETA-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | 5mszgfib6Vx |
|---|---|
| InChI | InChI=1S/C29H32O15/c1-11-21(34)24(37)27(41-12(2)30)29(40-11)39-10-20-22(35)23(36)25(38)28(44-20)43-19-9-16-17(33)7-15(32)8-18(16)42-26(19)13-3-5-14(31)6-4-13/h3-9,11,20-25,27-29,34-38H,10H2,1-2H3,(H2-,31,32,33)/p+1/t11-,20+,21-,22+,23-,24+,25+,27+,28-,29+/m1/s1 |
| InChIKey | NCPSRVVXVGOYED-BGXRMJKXSA-O |
| Mol Weight | 621.6 g/mol |
| Molecular Formula | C29H33O15 |
| Exact Mass | 621.181945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbjtSBey2fd |
|---|---|
| Name | PELARGONIDIN-3-O-(6''-O-(2'''-O-ACETYL-ALPHA-RHAMNOPYRANOSYL)-BETA-GLUCOPYRANOSIDE] |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H33O15 |
| InChI | InChI=1S/C29H32O15/c1-11-21(34)24(37)27(41-12(2)30)29(40-11)39-10-20-22(35)23(36)25(38)28(44-20)43-19-9-16-17(33)7-15(32)8-18(16)42-26(19)13-3-5-14(31)6-4-13/h3-9,11,20-25,27-29,34-38H,10H2,1-2H3,(H2-,31,32,33)/p+1/t11-,20+,21-,22+,23-,24+,25+,27+,28-,29+/m1/s1 |
| InChIKey | NCPSRVVXVGOYED-BGXRMJKXSA-O |
| Literature Reference Author | K.TORSKANGERPOLL,T.FOSSEN,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,52,1687(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00328-3 |
| Molecular Weight | 621.572 g/mol |
| Solvent | CD3OD:CF3COOD=19:1 |
| Source File Reference | UWVN332 |