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6'-O-ACETYLACTEOSIDE
SpectraBase Compound ID 613ouswd7q7
InChI InChI=1S/C31H38O16/c1-14-24(38)25(39)26(40)31(44-14)47-29-27(41)30(42-10-9-17-4-7-19(34)21(36)12-17)45-22(13-43-15(2)32)28(29)46-23(37)8-5-16-3-6-18(33)20(35)11-16/h3-8,11-12,14,22,24-31,33-36,38-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1
InChIKey JBGBPOYDCGQCJC-MWKLXWFVSA-N
Mol Weight 666.6 g/mol
Molecular Formula C31H38O16
Exact Mass 666.215985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0KVzmMXM8U
Name 6'-O-ACETYLACTEOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O16
InChI InChI=1S/C31H38O16/c1-14-24(38)25(39)26(40)31(44-14)47-29-27(41)30(42-10-9-17-4-7-19(34)21(36)12-17)45-22(13-43-15(2)32)28(29)46-23(37)8-5-16-3-6-18(33)20(35)11-16/h3-8,11-12,14,22,24-31,33-36,38-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1
InChIKey JBGBPOYDCGQCJC-MWKLXWFVSA-N
Literature Reference Author K.BOJE,M.LECHTENBERG,A.NAHRSTEDT
Literature Reference Citation PLANTA.MED.,69,820(2003)
Literature Reference DOI 10.1055/s-2003-43225
Molecular Weight 666.633 g/mol
Solvent CD3OD
Source File Reference UIAP2022