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(2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3,8-bis(oxidanyl)-3,4-dihydropyrano[2,3-b]chromen-5-one

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(2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3,8-bis(oxidanyl)-3,4-dihydropyrano[2,3-b]chromen-5-one
SpectraBase Compound ID SuFb5Vs0D5
InChI InChI=1S/C24H30O5/c1-15(2)7-5-8-16(3)9-6-12-24(4)21(26)14-19-22(27)18-11-10-17(25)13-20(18)28-23(19)29-24/h7,9-11,13,21,25-26H,5-6,8,12,14H2,1-4H3/b16-9+/t21-,24-/m0/s1
InChIKey MAQAELSWTKIQCC-CQXHURQLSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2F6d0xcfOA
Name (2S,3S)-2-[(3E)-4,8-Dimethylnona-3,7-dienyl]-2-methyl-3,8-bis(oxidanyl)-3,4-dihydropyrano[2,3-B]chromen-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.209324061 u
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-15(2)7-5-8-16(3)9-6-12-24(4)21(26)14-19-22(27)18-11-10-17(25)13-20(18)28-23(19)29-24/h7,9-11,13,21,25-26H,5-6,8,12,14H2,1-4H3/b16-9+/t21-,24-/m0/s1
InChIKey MAQAELSWTKIQCC-CQXHURQLSA-N
Molecular Weight 398.499 g/mol
SMILES C12=C(OC=3C(C2=O)=CC=C(O)C3)O[C@]([C@](C1)(O)[H])(CC\C=C\(CCC=C(C)C)C)C