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Thymolglucoside tetraacetate (isomer 1)

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Thymolglucoside tetraacetate (isomer 1)
SpectraBase Compound ID 1krq7WKeHTD
InChI InChI=1S/C24H32O10/c1-12(2)18-9-8-13(3)10-19(18)33-24-23(32-17(7)28)22(31-16(6)27)21(30-15(5)26)20(34-24)11-29-14(4)25/h8-10,12,20-24H,11H2,1-7H3/t20-,21-,22+,23-,24-/m1/s1
InChIKey ZFXQDMCMNZYJHB-GNADVCDUSA-N
Mol Weight 480.5 g/mol
Molecular Formula C24H32O10
Exact Mass 480.199547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LujwcKG0S1R
Name Thymolglucoside tetraacetate (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 480.199547220 u
Formula C24H32O10
InChI InChI=1S/C24H32O10/c1-12(2)18-9-8-13(3)10-19(18)33-24-23(32-17(7)28)22(31-16(6)27)21(30-15(5)26)20(34-24)11-29-14(4)25/h8-10,12,20-24H,11H2,1-7H3/t20-,21-,22+,23-,24-/m1/s1
InChIKey ZFXQDMCMNZYJHB-GNADVCDUSA-N
Molecular Weight 480.510 g/mol
SMILES C1=CC(=C(C=C1C)O[C@]1([C@](OC(C)=O)([C@@](OC(C)=O)([C@](OC(C)=O)([C@](O1)(COC(C)=O)[H])[H])[H])[H])[H])C(C)C