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PETIOLIN-I;2',3,4',5,6'-PENTAHYDROXYBENZOPHENONE-(4''-ACETOXY-2''-BENZOYL)-ALPHA-L-RHANOPYRANOSIDE
SpectraBase Compound ID FkdecNXLNlW
InChI InChI=1S/C28H26O12/c1-13-25(38-14(2)29)24(35)26(40-27(36)15-6-4-3-5-7-15)28(37-13)39-21-12-19(32)11-20(33)22(21)23(34)16-8-17(30)10-18(31)9-16/h3-13,24-26,28,30-33,35H,1-2H3/t13-,24+,25-,26+,28-/m1/s1
InChIKey KMIYHABTKUSIIS-ZQJYWKEBSA-N
Mol Weight 554.5 g/mol
Molecular Formula C28H26O12
Exact Mass 554.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86zIyWLOIjf
Name PETIOLIN-I;2',3,4',5,6'-PENTAHYDROXYBENZOPHENONE-(4''-ACETOXY-2''-BENZOYL)-ALPHA-L-RHANOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26O12
InChI InChI=1S/C28H26O12/c1-13-25(38-14(2)29)24(35)26(40-27(36)15-6-4-3-5-7-15)28(37-13)39-21-12-19(32)11-20(33)22(21)23(34)16-8-17(30)10-18(31)9-16/h3-13,24-26,28,30-33,35H,1-2H3/t13-,24+,25-,26+,28-/m1/s1
InChIKey KMIYHABTKUSIIS-ZQJYWKEBSA-N
Literature Reference Author N.TANAAK,T.KUBOTA,Y.KASHIWADA,Y.TAKAISHI,J.KOBAYASHI
Literature Reference Citation CHEM.PHARM.BULL.,57,1171(2009)
Literature Reference DOI 10.1248/cpb.57.1171
Molecular Weight 554.507 g/mol
Sample ID 3119
Solvent ACETONE-D6