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LITSEAFOLOSIDE_C;3-HYDROXY-4-O-BETA-D-(6-O-CAFFEOYLGLUCOPYRANOSYL)-BENZYL_VANILLOATE
SpectraBase Compound ID AYpypI6Lp90
InChI InChI=1S/C30H30O14/c1-40-23-12-17(5-7-19(23)32)29(39)42-13-16-3-8-22(21(34)11-16)43-30-28(38)27(37)26(36)24(44-30)14-41-25(35)9-4-15-2-6-18(31)20(33)10-15/h2-12,24,26-28,30-34,36-38H,13-14H2,1H3/b9-4+/t24-,26-,27+,28-,30-/m0/s1
InChIKey IMVLKRZWKQBCNJ-ZCVSGQIHSA-N
Mol Weight 614.56 g/mol
Molecular Formula C30H30O14
Exact Mass 614.163556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4RdyvdbMmI
Name LITSEAFOLOSIDE_C;3-HYDROXY-4-O-BETA-D-(6-O-CAFFEOYLGLUCOPYRANOSYL)-BENZYL_VANILLOATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H30O14
InChI InChI=1S/C30H30O14/c1-40-23-12-17(5-7-19(23)32)29(39)42-13-16-3-8-22(21(34)11-16)43-30-28(38)27(37)26(36)24(44-30)14-41-25(35)9-4-15-2-6-18(31)20(33)10-15/h2-12,24,26-28,30-34,36-38H,13-14H2,1H3/b9-4+/t24-,26-,27+,28-,30-/m0/s1
InChIKey IMVLKRZWKQBCNJ-ZCVSGQIHSA-N
Literature Reference Author A.L.ZHANG,Q.YE,B.G.LI,H.Y.QI,G.L.ZHANG
Literature Reference Citation J.NAT.PROD.,68,1531(2005)
Literature Reference DOI 10.1021/np050285z
Molecular Weight 614.560 g/mol
Solvent CD3OD
Source File Reference UWMZ13009