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6(2H)-Benzofuranone, 3,5-dihydro-5-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-5-(2-propenyl)-, [2R-(2.alpha.,3.alpha.,5.alpha.)]-

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6(2H)-Benzofuranone, 3,5-dihydro-5-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-5-(2-propenyl)-, [2R-(2.alpha.,3.alpha.,5.alpha.)]-
SpectraBase Compound ID F4KaZ1xQmh5
InChI InChI=1S/C21H22O6/c1-5-6-21(24-4)10-14-12(2)19(27-15(14)9-18(21)22)13-7-16(23-3)20-17(8-13)25-11-26-20/h5,7-10,12,19H,1,6,11H2,2-4H3/t12-,19+,21-/m0/s1
InChIKey LXIDLKZYDJVPIV-DKIOLRDMSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86N5nZg1LWD
Name 6(2H)-Benzofuranone, 3,5-dihydro-5-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-5-(2-propenyl)-, [2R-(2.alpha.,3.alpha.,5.alpha.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.141638422 u
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-5-6-21(24-4)10-14-12(2)19(27-15(14)9-18(21)22)13-7-16(23-3)20-17(8-13)25-11-26-20/h5,7-10,12,19H,1,6,11H2,2-4H3/t12-,19+,21-/m0/s1
InChIKey LXIDLKZYDJVPIV-DKIOLRDMSA-N
Molecular Weight 370.401 g/mol
SMILES C1=2C(=C[C@@](C(C2)=O)(OC)CC=C)[C@](C)([C@@](O1)(C=1C=C2OCOC2=C(C1)OC)[H])[H]