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3-[{5,7-Dihydroxy-2,2-dimethyl-8-(2-(S)-methylbutanoyl)-2H-chromen-6-yl}methyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one

View entire compound with spectra: 1 MS (GC)

3-[{5,7-Dihydroxy-2,2-dimethyl-8-(2-(S)-methylbutanoyl)-2H-chromen-6-yl}methyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one
SpectraBase Compound ID I0FBim4O2Jw
InChI InChI=1S/C25H30O7/c1-7-12(3)19(26)18-22(29)15(21(28)14-9-10-25(5,6)32-23(14)18)11-16-20(27)13(4)17(8-2)31-24(16)30/h9-10,12,27-29H,7-8,11H2,1-6H3/t12-/m0/s1
InChIKey UKJLXEAYQVIKJB-LBPRGKRZSA-N
Mol Weight 442.51 g/mol
Molecular Formula C25H30O7
Exact Mass 442.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1s87i57M9R6
Name 3-[{5,7-Dihydroxy-2,2-dimethyl-8-(2-(S)-methylbutanoyl)-2H-chromen-6-yl}methyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one
Appearance Amber oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O7
InChI InChI=1S/C25H30O7/c1-7-12(3)19(26)18-22(29)15(21(28)14-9-10-25(5,6)32-23(14)18)11-16-20(27)13(4)17(8-2)31-24(16)30/h9-10,12,27-29H,7-8,11H2,1-6H3/t12-/m0/s1
InChIKey UKJLXEAYQVIKJB-LBPRGKRZSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1021/np500735f
Molecular Weight 442.508 g/mol
Optical Rotation [a]D20 = +9 (c = 0.3, CHCl3)
Reported Formula C25H30O7
SMILES Oc1c(c2c(c(c1CC1=C(C(=C(OC1=O)CC)C)O)O)C=CC(O2)(C)C)C([C@](CC)(C)[H])=O
SPLASH splash10-03xr-0090100000-b300f9c4ed50f714c4bb
Source of Spectrum G4-78-99-1
Wiley ID 1865804