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CHRYSOPHANOL-1-O-BETA-D-(6'-O-MALONYL)-GLUCOPYRANOSIDE

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CHRYSOPHANOL-1-O-BETA-D-(6'-O-MALONYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID 3TFkCqOrN85
InChI InChI=1S/C24H22O12/c1-9-5-11-18(21(31)17-10(19(11)29)3-2-4-12(17)25)13(6-9)35-24-23(33)22(32)20(30)14(36-24)8-34-16(28)7-15(26)27/h2-6,14,20,22-25,30,32-33H,7-8H2,1H3,(H,26,27)/t14-,20-,22+,23-,24-/m1/s1
InChIKey UCWBSLZJZJKRMD-LHNXKRSWSA-N
Mol Weight 502.43 g/mol
Molecular Formula C24H22O12
Exact Mass 502.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8wLm2OupwiW
Name CHRYSOPHANOL-1-O-BETA-D-(6'-O-MALONYL)-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H22O12
InChI InChI=1S/C24H22O12/c1-9-5-11-18(21(31)17-10(19(11)29)3-2-4-12(17)25)13(6-9)35-24-23(33)22(32)20(30)14(36-24)8-34-16(28)7-15(26)27/h2-6,14,20,22-25,30,32-33H,7-8H2,1H3,(H,26,27)/t14-,20-,22+,23-,24-/m1/s1
InChIKey UCWBSLZJZJKRMD-LHNXKRSWSA-N
Literature Reference Author Z.W.WANG,J.S.WANG,J.LUO,D.D.WEI,L.Y.KONG
Literature Reference Citation CHEM.PHARM.BULL.,60,241(2012)
Literature Reference DOI 10.1248/cpb.60.241
Molecular Weight 502.431 g/mol
Source File Reference UWBT4275