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6(2H)-Benzofuranone, 2-[(3,4-dimethoxyphenyl)methyl]-3,3a-dihydro-5-methoxy-3-methyl-3a-(2-propenyl)-, [2S-(2.alpha.,3.alpha.,3a.alpha.)]-

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6(2H)-Benzofuranone, 2-[(3,4-dimethoxyphenyl)methyl]-3,3a-dihydro-5-methoxy-3-methyl-3a-(2-propenyl)-, [2S-(2.alpha.,3.alpha.,3a.alpha.)]-
SpectraBase Compound ID HP7xzAlEhjb
InChI InChI=1S/C22H26O5/c1-6-9-22-13-20(26-5)16(23)12-21(22)27-18(14(22)2)10-15-7-8-17(24-3)19(11-15)25-4/h6-8,11-14,18H,1,9-10H2,2-5H3/t14-,18+,22+/m1/s1
InChIKey FERBCCQTERWBKI-GHNFSYLKSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZAewIJ2IIM
Name 6(2H)-Benzofuranone, 2-[(3,4-dimethoxyphenyl)methyl]-3,3A-dihydro-5-methoxy-3-methyl-3A-(2-propenyl)-, [2S-(2.alpha.,3.alpha.,3A.alpha.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-6-9-22-13-20(26-5)16(23)12-21(22)27-18(14(22)2)10-15-7-8-17(24-3)19(11-15)25-4/h6-8,11-14,18H,1,9-10H2,2-5H3/t14-,18+,22+/m1/s1
InChIKey FERBCCQTERWBKI-GHNFSYLKSA-N
Molecular Weight 370.445 g/mol
SMILES [C@]12(C(=CC(C(=C2)OC)=O)O[C@]([C@]1(C)[H])(CC=1C=C(OC)C(=CC1)OC)[H])CC=C