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1-O-GENTIOBIOSYL-3,7-DIMETHOXY-8-HYDROXYXANTHONE

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1-O-GENTIOBIOSYL-3,7-DIMETHOXY-8-HYDROXYXANTHONE
SpectraBase Compound ID FIPZTfKCZhC
InChI InChI=1S/C27H32O16/c1-37-9-5-12-16(21(32)17-10(40-12)3-4-11(38-2)18(17)29)13(6-9)41-27-25(36)23(34)20(31)15(43-27)8-39-26-24(35)22(33)19(30)14(7-28)42-26/h3-6,14-15,19-20,22-31,33-36H,7-8H2,1-2H3/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey MMZOSEKWRIIWQX-ONMHTNRHSA-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 KAJakc7Y5m0
Name 1-O-GENTIOBIOSYL-3,7-DIMETHOXY-8-HYDROXYXANTHONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O16
InChI InChI=1S/C27H32O16/c1-37-9-5-12-16(21(32)17-10(40-12)3-4-11(38-2)18(17)29)13(6-9)41-27-25(36)23(34)20(31)15(43-27)8-39-26-24(35)22(33)19(30)14(7-28)42-26/h3-6,14-15,19-20,22-31,33-36H,7-8H2,1-2H3/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey MMZOSEKWRIIWQX-ONMHTNRHSA-N
Literature Reference Author N.MENKOVIC,K.SAVIKIN-FODULOVIC,V.BULATOVIC,I.ALJANCIC,N.JURA NIC,S.MACURA,V.VAJS,
Literature Reference Citation PHYTOCHEM.,61,415(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00231-5
Molecular Weight 612.541 g/mol
Solvent DMSO-D6
Source File Reference UWLU29383