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4,5-DIMETHOXY-MORELENSIN
SpectraBase Compound ID 309W5BnZ5ZO
InChI InChI=1S/C22H24O6/c1-24-16-6-5-12(8-17(16)25-2)20-15-10-19(27-4)18(26-3)9-13(15)7-14-11-28-22(23)21(14)20/h5-6,8-10,14,20-21H,7,11H2,1-4H3/t14-,20-,21-/m0/s1
InChIKey YNINSHKHTZESCP-WVFSVQOHSA-N
Mol Weight 384.43 g/mol
Molecular Formula C22H24O6
Exact Mass 384.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AG2Yq5FRVLo
Name (-)-(1S,2R,3R)-1-[3',4'-Dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid lactone
Alternate Name(s) (3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3a,4,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-3-one (3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
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Formula C22H24O6
InChI InChI=1S/C22H24O6/c1-24-16-6-5-12(8-17(16)25-2)20-15-10-19(27-4)18(26-3)9-13(15)7-14-11-28-22(23)21(14)20/h5-6,8-10,14,20-21H,7,11H2,1-4H3/t14-,20-,21-/m0/s1
InChIKey YNINSHKHTZESCP-WVFSVQOHSA-N
Molecular Weight 384.428 g/mol
SMILES c12[C@@]([C@@]3([C@](COC3=O)(Cc1cc(c(c2)OC)OC)[H])[H])(c1cc(OC)c(cc1)OC)[H]
SPLASH splash10-001i-0019000000-96f295735af7e34bcfa0
Source of Spectrum KC-0-2627-14
Wiley ID 779923