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2-[(1S,3S)-5,10-diketo-9-methoxy-1-propyl-3,4-dihydro-1H-benz[g]isochromen-3-yl]acetic acid methyl ester
SpectraBase Compound ID 6Nwkbx3198E
InChI InChI=1S/C20H22O6/c1-4-6-15-18-13(9-11(26-15)10-16(21)25-3)19(22)12-7-5-8-14(24-2)17(12)20(18)23/h5,7-8,11,15H,4,6,9-10H2,1-3H3/t11-,15-/m0/s1
InChIKey YVEPHDAOARXTHJ-NHYWBVRUSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGK0ikN0aIH
Name 2-[(1S,3S)-5,10-diketo-9-methoxy-1-propyl-3,4-dihydro-1H-benz[g]isochromen-3-yl]acetic acid methyl ester
CAS Registry Number 81702-90-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-4-6-15-18-13(9-11(26-15)10-16(21)25-3)19(22)12-7-5-8-14(24-2)17(12)20(18)23/h5,7-8,11,15H,4,6,9-10H2,1-3H3/t11-,15-/m0/s1
InChIKey YVEPHDAOARXTHJ-NHYWBVRUSA-N
Molecular Weight 358.390 g/mol
SMILES C12=C(C(=O)c3c(C2=O)c(OC)ccc3)C[C@](O[C@]1(CCC)[H])(CC(=O)OC)[H]
SPLASH splash10-0aor-0029000000-e35aa627da808476b0be
Source of Spectrum KC-0-495-13
Synonyms 2-[(1S,3S)-9-methoxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g][2]benzopyran-3-yl]acetic acid methyl ester Methyl 2-[(1S,3S)-9-methoxy-5,10-bis(oxidanylidene)-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoate Methyl 2-[(1S,3S)-9-methoxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
Wiley ID 780528