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(5E)-4,7,8-Trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one, 4ac derivative
SpectraBase Compound ID FwNZVZzeLIV
InChI InChI=1S/C24H36O10/c1-8-9-18(30-14(2)25)12-20-13-19(31-15(3)26)10-11-21(32-16(4)27)22(33-17(5)28)24(6,7)23(29)34-20/h10-11,18-22H,8-9,12-13H2,1-7H3/b11-10+
InChIKey UDTQXVHEFGPVEW-ZHACJKMWSA-N
Mol Weight 484.5 g/mol
Molecular Formula C24H36O10
Exact Mass 484.230847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zdWeLRverh
Name (5E)-4,7,8-Trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one, 4ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.230847349 u
Formula C24H36O10
InChI InChI=1S/C24H36O10/c1-8-9-18(30-14(2)25)12-20-13-19(31-15(3)26)10-11-21(32-16(4)27)22(33-17(5)28)24(6,7)23(29)34-20/h10-11,18-22H,8-9,12-13H2,1-7H3/b11-10+
InChIKey UDTQXVHEFGPVEW-ZHACJKMWSA-N
Molecular Weight 484.542 g/mol
SMILES C(C(OC(=O)C)CC1CC(OC(=O)C)\C=C\C(OC(=O)C)C(OC(=O)C)C(C)(C)C(=O)O1)CC