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7-METHYL-1,4,5-TRIHYDROXY-NAPHTHALENE-4-O-(6'-O-BETA-XYLOPYRANOSYL)-BETA-GLUCOPYRANOSIDE

View entire compound with spectra: 1 NMR

7-METHYL-1,4,5-TRIHYDROXY-NAPHTHALENE-4-O-(6'-O-BETA-XYLOPYRANOSYL)-BETA-GLUCOPYRANOSIDE
SpectraBase Compound ID 5cMSDtXyuTJ
InChI InChI=1S/C22H28O12/c1-8-4-9-10(23)2-3-13(15(9)11(24)5-8)33-22-20(30)18(28)17(27)14(34-22)7-32-21-19(29)16(26)12(25)6-31-21/h2-5,12,14,16-30H,6-7H2,1H3/t12-,14-,16+,17-,18+,19-,20-,21+,22-/m1/s1
InChIKey HONDCAIBTDBEKM-UNMIJHDRSA-N
Mol Weight 484.45 g/mol
Molecular Formula C22H28O12
Exact Mass 484.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uts6XzxV6o
Name 7-METHYL-1,4,5-TRIHYDROXY-NAPHTHALENE-4-O-(6'-O-BETA-XYLOPYRANOSYL)-BETA-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O12
InChI InChI=1S/C22H28O12/c1-8-4-9-10(23)2-3-13(15(9)11(24)5-8)33-22-20(30)18(28)17(27)14(34-22)7-32-21-19(29)16(26)12(25)6-31-21/h2-5,12,14,16-30H,6-7H2,1H3/t12-,14-,16+,17-,18+,19-,20-,21+,22-/m1/s1
InChIKey HONDCAIBTDBEKM-UNMIJHDRSA-N
Literature Reference Author M.GONDO,N.TANAKA,T.TANAKA,K.SHIMOMURA,F.NAKANISHI,K.ISHIMARU
Literature Reference Citation PHYTOCHEM.,51,879(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00131-4
Molecular Weight 484.457 g/mol
Solvent DMSO-D6
Source File Reference UWUC34