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2-Hydroxy-1,8-cineole-glucoside, 4 ac derivative
SpectraBase Compound ID LkDk8E0tXmq
InChI InChI=1S/C24H36O11/c1-12(25)29-11-17-19(30-13(2)26)20(31-14(3)27)21(32-15(4)28)22(33-17)34-18-10-16-8-9-24(18,7)35-23(16,5)6/h16-22H,8-11H2,1-7H3/t16-,17?,18+,19?,20?,21?,22?,24+/m1/s1
InChIKey CPPFBNZZBJKFSW-OWRXJFSSSA-N
Mol Weight 500.5 g/mol
Molecular Formula C24H36O11
Exact Mass 500.225762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2NtzrVMOeI3
Name 2-Hydroxy-1,8-cineole-glucoside, 4 ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 500.225761968 u
Formula C24H36O11
InChI InChI=1S/C24H36O11/c1-12(25)29-11-17-19(30-13(2)26)20(31-14(3)27)21(32-15(4)28)22(33-17)34-18-10-16-8-9-24(18,7)35-23(16,5)6/h16-22H,8-11H2,1-7H3/t16-,17?,18+,19?,20?,21?,22?,24+/m1/s1
InChIKey CPPFBNZZBJKFSW-OWRXJFSSSA-N
Molecular Weight 500.541 g/mol
SMILES C1(C(C(C(C(O1)O[C@@]1([C@]2(OC([C@@](C1)(CC2)[H])(C)C)C)[H])OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C