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(5R,6R)-2,2-dimethyl-8-oxo-5-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[f][1,3]benzodioxole-6-carboxylic acid ethyl ester

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(5R,6R)-2,2-dimethyl-8-oxo-5-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[f][1,3]benzodioxole-6-carboxylic acid ethyl ester
SpectraBase Compound ID 9M3nK5jti2I
InChI InChI=1S/C25H28O8/c1-7-31-24(27)16-10-17(26)14-11-18-19(33-25(2,3)32-18)12-15(14)22(16)13-8-20(28-4)23(30-6)21(9-13)29-5/h8-9,11-12,16,22H,7,10H2,1-6H3/t16-,22-/m1/s1
InChIKey ZOGXNAZMPKAAED-OPAMFIHVSA-N
Mol Weight 456.49 g/mol
Molecular Formula C25H28O8
Exact Mass 456.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eQPaJfUVaX
Name (5R,6R)-2,2-Dimethyl-8-oxo-5-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[F][1,3]benzodioxole-6-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.178417854 u
Formula C25H28O8
InChI InChI=1S/C25H28O8/c1-7-31-24(27)16-10-17(26)14-11-18-19(33-25(2,3)32-18)12-15(14)22(16)13-8-20(28-4)23(30-6)21(9-13)29-5/h8-9,11-12,16,22H,7,10H2,1-6H3/t16-,22-/m1/s1
InChIKey ZOGXNAZMPKAAED-OPAMFIHVSA-N
Molecular Weight 456.491 g/mol
SMILES C1=2[C@]([C@](C(=O)OCC)(CC(C2C=C2C(=C1)OC(C)(C)O2)=O)[H])(C1=CC(OC)=C(C(=C1)OC)OC)[H]