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ACACETIN-7-O-GLUCOPYRANOSIDE-6''-O-MALONYLESTER

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ACACETIN-7-O-GLUCOPYRANOSIDE-6''-O-MALONYLESTER
SpectraBase Compound ID 9i7w74GMVFT
InChI InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)16-8-15(27)21-14(26)6-13(7-17(21)37-16)36-25-24(33)23(32)22(31)18(38-25)10-35-20(30)9-19(28)29/h2-8,18,22-26,31-33H,9-10H2,1H3,(H,28,29)/t18-,22-,23+,24-,25-/m1/s1
InChIKey IJNCCCFFKAXJKJ-GOZZSVHWSA-N
Mol Weight 532.45 g/mol
Molecular Formula C25H24O13
Exact Mass 532.121691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1v0AhLHnE8
Name ACACETIN-7-O-GLUCOPYRANOSIDE-6''-O-MALONYLESTER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H24O13
InChI InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)16-8-15(27)21-14(26)6-13(7-17(21)37-16)36-25-24(33)23(32)22(31)18(38-25)10-35-20(30)9-19(28)29/h2-8,18,22-26,31-33H,9-10H2,1H3,(H,28,29)/t18-,22-,23+,24-,25-/m1/s1
InChIKey IJNCCCFFKAXJKJ-GOZZSVHWSA-N
Literature Reference Author H.H.PARK,T.HAKAMATSUKA,U.SANKAWA,Y.EBIZUKA
Literature Reference Citation PHYTOCHEM.,38,373(1995)
Literature Reference DOI 10.1016/0031-9422(94)00640-F
Molecular Weight 532.458 g/mol
Solvent DMSO-D6
Source File Reference UWMS4732