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BETA-HYDROXYACTEOSIDE
SpectraBase Compound ID 3yuUnN7qSNo
InChI InChI=1S/C29H36O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19?,20-,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1
InChIKey XDAXWJHQKZRSEY-VLJJWSBQSA-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 2HrkNJanPxX
Name BETA-HYDROXYACTEOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O16
InChI InChI=1S/C29H36O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19?,20-,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1
InChIKey XDAXWJHQKZRSEY-VLJJWSBQSA-N
Literature Reference Author C.ANDARY,R.WYLDE,L.MAURY,A.HEITZ,A.DUBOURG,S.NISHIBE
Literature Reference Citation PHYTOCHEM.,37,855(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90370-4
Molecular Weight 640.595 g/mol
Solvent CD3OD
Source File Reference UWLU23534