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THOTNEOSIDE-B;QUERCETIN-3-O-(6''-O-PHENYLACETYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID EyhWDSkQM7z
InChI InChI=1S/C29H26O13/c30-15-10-18(33)22-19(11-15)40-27(14-6-7-16(31)17(32)9-14)28(24(22)36)42-29-26(38)25(37)23(35)20(41-29)12-39-21(34)8-13-4-2-1-3-5-13/h1-7,9-11,20,23,25-26,29-33,35,37-38H,8,12H2/t20-,23-,25+,26-,29+/m1/s1
InChIKey CBORUWQGYGSHFH-UKYRYFTCSA-N
Mol Weight 582.51 g/mol
Molecular Formula C29H26O13
Exact Mass 582.137341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GUeswCoUrf
Name THOTNEOSIDE-B;QUERCETIN-3-O-(6''-O-PHENYLACETYL)-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H26O13
InChI InChI=1S/C29H26O13/c30-15-10-18(33)22-19(11-15)40-27(14-6-7-16(31)17(32)9-14)28(24(22)36)42-29-26(38)25(37)23(35)20(41-29)12-39-21(34)8-13-4-2-1-3-5-13/h1-7,9-11,20,23,25-26,29-33,35,37-38H,8,12H2/t20-,23-,25+,26-,29+/m1/s1
InChIKey CBORUWQGYGSHFH-UKYRYFTCSA-N
Literature Reference Author K.R.JOSHI,H.P.DEVKOTA,T.WATANABE,S.YAHARA
Literature Reference Citation CHEM.PHARM.BULL.,62,191(2014)
Literature Reference DOI 10.1248/cpb.c13-00748
Molecular Weight 582.518 g/mol
Solvent DMSO-D6
Source File Reference UWBT13818