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LTXGXYWAIVIDEM-QEKRRRGYSA-N
SpectraBase Compound ID 7jq6TKXYFqs
InChI InChI=1S/C27H32O16/c1-8-3-10-16(25(37)40-8)19(32)15-11(24(10)38-2)4-9(29)5-12(15)41-27-23(36)21(34)18(31)14(43-27)7-39-26-22(35)20(33)17(30)13(6-28)42-26/h3-5,13-14,17-18,20-23,26-36H,6-7H2,1-2H3/t13-,14-,17-,18-,20+,21+,22-,23-,26-,27-/m1/s1
InChIKey LTXGXYWAIVIDEM-QEKRRRGYSA-N
Mol Weight 612.5 g/mol
Molecular Formula C27H32O16
Exact Mass 612.169035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQtm0lZQZIP
Name LTXGXYWAIVIDEM-QEKRRRGYSA-N
Compound Number 10:7,9,10-TRIHYDROXY-5-METHOXY-3-METHYL-1-H -NAPHTHO-[2.3-C]-PYRAN-1-ONE-9-O-BETA-D-GLUCOPYRANOSY L-(1->6)-BETA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O16
InChI InChI=1S/C27H32O16/c1-8-3-10-16(25(37)40-8)19(32)15-11(24(10)38-2)4-9(29)5-12(15)41-27-23(36)21(34)18(31)14(43-27)7-39-26-22(35)20(33)17(30)13(6-28)42-26/h3-5,13-14,17-18,20-23,26-36H,6-7H2,1-2H3/t13-,14-,17-,18-,20+,21+,22-,23-,26-,27-/m1/s1
InChIKey LTXGXYWAIVIDEM-QEKRRRGYSA-N
Literature Reference Author F.P.DOAMARAL,A.NAPOLITANO,M.MASULLO,L.C.DOSSANTOS,M.FESTA,W. VILEGAS,C.PIZZA,S.PI
Literature Reference Citation J.NAT.PROD.,75,547(2012)
Literature Reference DOI 10.1021/np200604k
Molecular Weight 612.541 g/mol
Sample ID 40231
Solvent CD3OD