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FERRUGINOSIDE-A;3,4-DIHYDROXY-BETA-PHENYLETHOXY-O-BETA-D-GLUCOPYRANOSYL-(1->6)-2-O-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 7S1vmiYx3jH
InChI InChI=1S/C29H36O16/c30-11-19-22(36)24(38)26(40)28(43-19)42-12-20-23(37)25(39)27(45-21(35)6-3-13-1-4-15(31)17(33)9-13)29(44-20)41-8-7-14-2-5-16(32)18(34)10-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23+,24+,25-,26-,27+,28-,29+/m0/s1
InChIKey FHPIQLCBJIIFCH-DAUXNRLTSA-N
Mol Weight 640.6 g/mol
Molecular Formula C29H36O16
Exact Mass 640.200335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EL2tgeg5Oot
Name FERRUGINOSIDE-A;3,4-DIHYDROXY-BETA-PHENYLETHOXY-O-BETA-D-GLUCOPYRANOSYL-(1->6)-2-O-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O16
InChI InChI=1S/C29H36O16/c30-11-19-22(36)24(38)26(40)28(43-19)42-12-20-23(37)25(39)27(45-21(35)6-3-13-1-4-15(31)17(33)9-13)29(44-20)41-8-7-14-2-5-16(32)18(34)10-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23+,24+,25-,26-,27+,28-,29+/m0/s1
InChIKey FHPIQLCBJIIFCH-DAUXNRLTSA-N
Literature Reference Author I.CALIS,D.TASDEMIR,O.STICHER,S.NISHIBE
Literature Reference Citation CHEM.PHARM.BULL.,47,1305(1999)
Literature Reference DOI 10.1248/cpb.47.1305
Molecular Weight 640.595 g/mol
Solvent D2O
Source File Reference UWLU8264