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

View entire compound with spectra: 1 MS (GC)

2-Ethyl-5-[{7-hydroxy-5-methoxy-2,2-dimethyl-8-(2-(S)-methylbutanoyl)-2H-chromen-6-yl}methyl]-6-methoxy-3-methyl-4H-pyran-4-one
SpectraBase Compound ID EZ4mv9aNeqH
InChI InChI=1S/C27H34O7/c1-9-14(3)21(28)20-23(30)17(24(31-7)16-11-12-27(5,6)34-25(16)20)13-18-22(29)15(4)19(10-2)33-26(18)32-8/h11-12,14,30H,9-10,13H2,1-8H3/t14-/m0/s1
InChIKey ZKLJTIKEZMUISB-AWEZNQCLSA-N
Mol Weight 470.6 g/mol
Molecular Formula C27H34O7
Exact Mass 470.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kptmuj9nf7
Name 2-Ethyl-5-[{7-hydroxy-5-methoxy-2,2-dimethyl-8-(2-(S)-methylbutanoyl)-2H-chromen-6-yl}methyl]-6-methoxy-3-methyl-4H-pyran-4-one
Appearance Amber oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34O7
InChI InChI=1S/C27H34O7/c1-9-14(3)21(28)20-23(30)17(24(31-7)16-11-12-27(5,6)34-25(16)20)13-18-22(29)15(4)19(10-2)33-26(18)32-8/h11-12,14,30H,9-10,13H2,1-8H3/t14-/m0/s1
InChIKey ZKLJTIKEZMUISB-AWEZNQCLSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1021/np500735f
Molecular Weight 470.562 g/mol
Optical Rotation [a]D20 = +2 (c = 0.1, CHCl3)
Reported Formula C27H34O7
SMILES Oc1c(c(c2c(c1C([C@](CC)(C)[H])=O)OC(C=C2)(C)C)OC)CC=1C(C(=C(OC1OC)CC)C)=O
SPLASH splash10-01x9-0920800000-1457c4e9cc5a51713b3e
Source of Spectrum G4-78-99-7
Wiley ID 1865806