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ANTHRAGALLOL-3-O-RUTINOSIDE
SpectraBase Compound ID IpUIdhTxuOl
InChI InChI=1S/C26H28O14/c1-8-15(27)21(33)23(35)25(38-8)37-7-13-19(31)22(34)24(36)26(40-13)39-12-6-11-14(20(32)18(12)30)17(29)10-5-3-2-4-9(10)16(11)28/h2-6,8,13,15,19,21-27,30-36H,7H2,1H3/t8-,13+,15-,19+,21+,22-,23+,24+,25+,26+/m0/s1
InChIKey ZLRUPIOIQZSSPH-QUKLOYOZSA-N
Mol Weight 564.5 g/mol
Molecular Formula C26H28O14
Exact Mass 564.147906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lll72d6NOEc
Name ANTHRAGALLOL-3-O-RUTINOSIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28O14
InChI InChI=1S/C26H28O14/c1-8-15(27)21(33)23(35)25(38-8)37-7-13-19(31)22(34)24(36)26(40-13)39-12-6-11-14(20(32)18(12)30)17(29)10-5-3-2-4-9(10)16(11)28/h2-6,8,13,15,19,21-27,30-36H,7H2,1H3/t8-,13+,15-,19+,21+,22-,23+,24+,25+,26+/m0/s1
InChIKey ZLRUPIOIQZSSPH-QUKLOYOZSA-N
Literature Reference Author A.A.EL-GAMAL,K.TAKEYA,H.ITOKAWA,A.F.HALIM,M.M.AMER,H.E.A.SAA D,S.A.AWAD
Literature Reference Citation PHYTOCHEM.,42,1149(1996)
Literature Reference DOI 10.1016/0031-9422(96)00080-5
Molecular Weight 564.500 g/mol
Solvent DMSO-D6
Source File Reference UWVN2982