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CEBELLIN-J-PERACETYLATED
SpectraBase Compound ID XbPkAVVMXA
InChI InChI=1S/C27H33ClO12/c1-12-8-19(37-25(34)26(7,10-28)39-16(5)31)21-13(2)24(33)38-23(21)22-18(12)9-20(36-15(4)30)27(22,40-17(6)32)11-35-14(3)29/h18-23H,1-2,8-11H2,3-7H3/t18-,19-,20-,21?,22-,23-,26+,27+/m0/s1
InChIKey LQYWKEUQYDSIES-HBTQKORISA-N
Mol Weight 585.0 g/mol
Molecular Formula C27H33ClO12
Exact Mass 584.166054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bhv9WPiAaBE
Name CEBELLIN-J-PERACETYLATED
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33ClO12
InChI InChI=1S/C27H33ClO12/c1-12-8-19(37-25(34)26(7,10-28)39-16(5)31)21-13(2)24(33)38-23(21)22-18(12)9-20(36-15(4)30)27(22,40-17(6)32)11-35-14(3)29/h18-23H,1-2,8-11H2,3-7H3/t18-,19-,20-,21?,22-,23-,26+,27+/m0/s1
InChIKey LQYWKEUQYDSIES-HBTQKORISA-N
Literature Reference Author S.OEKSUEZ,G.TOPCU
Literature Reference Citation PHYTOCHEM.,37,487(1994)
Literature Reference DOI 10.1016/0031-9422(94)85084-4
Molecular Weight 585.005 g/mol
Solvent CDCl3
Source File Reference UWLU23179