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3-CARBOXY-5-HYDROXY-6-O-BETA-D-GLUCOPYRANOSYL-7-PHENYL-3H-BENZO-[DE]-ISOCHROMEN-1-ONE
SpectraBase Compound ID Eg78Eb5R45h
InChI InChI=1S/C25H22O11/c26-9-15-18(28)19(29)20(30)25(34-15)36-22-14(27)8-13-16-12(24(33)35-21(13)23(31)32)7-6-11(17(16)22)10-4-2-1-3-5-10/h1-8,15,18-21,25-30H,9H2,(H,31,32)/t15-,18-,19+,20-,21?,25+/m1/s1
InChIKey KUYMUCQWUSNZOX-SUKHPEAHSA-N
Mol Weight 498.44 g/mol
Molecular Formula C25H22O11
Exact Mass 498.116212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94DxedJe8O1
Name 3-CARBOXY-5-HYDROXY-6-O-BETA-D-GLUCOPYRANOSYL-7-PHENYL-3H-BENZO-[DE]-ISOCHROMEN-1-ONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22O11
InChI InChI=1S/C25H22O11/c26-9-15-18(28)19(29)20(30)25(34-15)36-22-14(27)8-13-16-12(24(33)35-21(13)23(31)32)7-6-11(17(16)22)10-4-2-1-3-5-10/h1-8,15,18-21,25-30H,9H2,(H,31,32)/t15-,18-,19+,20-,21?,25+/m1/s1
InChIKey KUYMUCQWUSNZOX-SUKHPEAHSA-N
Literature Reference Author S.OPITZ,D.HOELSCHER,N.J.OLDHAM,S.BARTRAM,B.SCHNEIDER
Literature Reference Citation J.NAT.PROD.,65,1122(2002)
Literature Reference DOI 10.1021/np020083s
Molecular Weight 498.443 g/mol
Solvent CD3OD
Source File Reference UWSI7010