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7,9,10-TRIHYDROXY-5-METHOXY-3-METHYL-1-H-NAPHTHO-[2.3-C]-PYRAN-1-ONE-9-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID F3MWp4K6wMd
InChI InChI=1S/C21H22O11/c1-7-3-9-14(20(28)30-7)16(25)13-10(19(9)29-2)4-8(23)5-11(13)31-21-18(27)17(26)15(24)12(6-22)32-21/h3-5,12,15,17-18,21-27H,6H2,1-2H3/t12-,15-,17+,18-,21-/m1/s1
InChIKey ZYJZOGQFALTEHI-QUCXHVEGSA-N
Mol Weight 450.4 g/mol
Molecular Formula C21H22O11
Exact Mass 450.116212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7CmS9gAIeq5
Name 7,9,10-TRIHYDROXY-5-METHOXY-3-METHYL-1-H-NAPHTHO-[2.3-C]-PYRAN-1-ONE-9-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O11
InChI InChI=1S/C21H22O11/c1-7-3-9-14(20(28)30-7)16(25)13-10(19(9)29-2)4-8(23)5-11(13)31-21-18(27)17(26)15(24)12(6-22)32-21/h3-5,12,15,17-18,21-27H,6H2,1-2H3/t12-,15-,17+,18-,21-/m1/s1
InChIKey ZYJZOGQFALTEHI-QUCXHVEGSA-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 450.399 g/mol
Sample ID 40232
Solvent CD3OD