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HELLICOSIDE;3,4,7-TRIHYDROXY-BETA-PHENETHYL-O-BETA-D-GLUCOPYRANOSYL-(1->3)-4-O-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID FPaE84VHxVR
InChI InChI=1S/C29H36O17/c30-9-19-22(38)23(39)24(40)29(43-19)46-27-25(41)28(42-11-18(36)13-3-5-15(33)17(35)8-13)44-20(10-31)26(27)45-21(37)6-2-12-1-4-14(32)16(34)7-12/h1-8,18-20,22-36,38-41H,9-11H2/b6-2+/t18?,19-,20+,22-,23+,24-,25+,26+,27+,28+,29+/m1/s1
InChIKey IKASMYQBXBUEQS-NJOAPHSESA-N
Mol Weight 656.6 g/mol
Molecular Formula C29H36O17
Exact Mass 656.19525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bOxatjwL2E
Name HELLICOSIDE;3,4,7-TRIHYDROXY-BETA-PHENETHYL-O-BETA-D-GLUCOPYRANOSYL-(1->3)-4-O-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O17
InChI InChI=1S/C29H36O17/c30-9-19-22(38)23(39)24(40)29(43-19)46-27-25(41)28(42-11-18(36)13-3-5-15(33)17(35)8-13)44-20(10-31)26(27)45-21(37)6-2-12-1-4-14(32)16(34)7-12/h1-8,18-20,22-36,38-41H,9-11H2/b6-2+/t18?,19-,20+,22-,23+,24-,25+,26+,27+,28+,29+/m1/s1
InChIKey IKASMYQBXBUEQS-NJOAPHSESA-N
Literature Reference Author H.RAVN,S.NISHIBE,M.SASAHARA,L.XUEBO
Literature Reference Citation PHYTOCHEM.,29,3627(1990)
Literature Reference DOI 10.1016/0031-9422(90)85289-R
Molecular Weight 656.595 g/mol
Solvent CD3OD
Source File Reference UWLU26917