John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=63qhthy7Y0a SpectraBase Spectrum ID=2aiEDVUc0d

(accessed ).
MALVIDIN_3-O-[6-(II)-O-(4''''-O-MALONYL-ALPHA-RHAMNOPYRANOSYL)-BETA-GLUCOPYRANOSIDE]-5-O-BETA-GLUCOPYRANOSIDE
SpectraBase Compound ID 63qhthy7Y0a
InChI InChI=1S/C38H46O24/c1-12-34(62-24(43)9-23(41)42)30(49)33(52)36(56-12)55-11-22-27(46)29(48)32(51)38(61-22)59-20-8-15-16(57-35(20)13-4-18(53-2)25(44)19(5-13)54-3)6-14(40)7-17(15)58-37-31(50)28(47)26(45)21(10-39)60-37/h4-8,12,21-22,26-34,36-39,45-52H,9-11H2,1-3H3,(H2-,40,41,42,44)/p+1/t12-,21-,22+,26-,27+,28+,29-,30-,31-,32+,33+,34-,36+,37-,38+/m1/s1
InChIKey HVQCUCVOZXRGOG-KGFWDMPASA-O
Mol Weight 887.8 g/mol
Molecular Formula C38H47O24
Exact Mass 887.245728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aiEDVUc0d
Name MALVIDIN_3-O-[6-(II)-O-(4''''-O-MALONYL-ALPHA-RHAMNOPYRANOSYL)-BETA-GLUCOPYRANOSIDE]-5-O-BETA-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H47O24
InChI InChI=1S/C38H46O24/c1-12-34(62-24(43)9-23(41)42)30(49)33(52)36(56-12)55-11-22-27(46)29(48)32(51)38(61-22)59-20-8-15-16(57-35(20)13-4-18(53-2)25(44)19(5-13)54-3)6-14(40)7-17(15)58-37-31(50)28(47)26(45)21(10-39)60-37/h4-8,12,21-22,26-34,36-39,45-52H,9-11H2,1-3H3,(H2-,40,41,42,44)/p+1/t12-,21-,22+,26-,27+,28+,29-,30-,31-,32+,33+,34-,36+,37-,38+/m1/s1
InChIKey HVQCUCVOZXRGOG-KGFWDMPASA-O
Literature Reference Author T.FOSSEN,S.RAYYAN,M.H.HOLMBERG,H.S.NATELAND,O.M.ANDERSEN
Literature Reference Citation PHYTOCHEM.,66,1133(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.04.009
Molecular Weight 887.777 g/mol
Solvent CF3COOD:CD3OD=5:95
Source File Reference UWMZ22303
SpectraBase Batch ID HvspMnAFj7S