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(4aRS,7aSR,8SR)-6-[2-(3,4-Dimethoxyphenyl)ethyl]-7-oxo-4a,5,6,7,7a,8-hexahydro-4H-furo[2,3-f]isoindole-8-carboxylic acid
SpectraBase Compound ID EaTNobPwC1H
InChI InChI=1S/C21H23NO6/c1-26-15-4-3-12(9-16(15)27-2)5-7-22-11-14-10-13-6-8-28-19(13)18(21(24)25)17(14)20(22)23/h3-4,6,8-9,14,17-18H,5,7,10-11H2,1-2H3,(H,24,25)/t14-,17-,18-/m0/s1
InChIKey BCTCDFQZBQQQRP-WBAXXEDZSA-N
Mol Weight 385.42 g/mol
Molecular Formula C21H23NO6
Exact Mass 385.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96Thd70BZvJ
Name (4aRS,7aSR,8SR)-6-[2-(3,4-Dimethoxyphenyl)ethyl]-7-oxo-4a,5,6,7,7a,8-hexahydro-4H-furo[2,3-f]isoindole-8-carboxylic acid
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Formula C21H23NO6
InChI InChI=1S/C21H23NO6/c1-26-15-4-3-12(9-16(15)27-2)5-7-22-11-14-10-13-6-8-28-19(13)18(21(24)25)17(14)20(22)23/h3-4,6,8-9,14,17-18H,5,7,10-11H2,1-2H3,(H,24,25)/t14-,17-,18-/m0/s1
InChIKey BCTCDFQZBQQQRP-WBAXXEDZSA-N
Literature Reference DOI 10.1016/j.tet.2016.03.023
Molecular Weight 385.416 g/mol
SMILES OC([C@@]1(c2occc2C[C@@]2([C@@]1(C(N(C2)CCc1cc(c(cc1)OC)OC)=O)[H])[H])[H])=O
SPLASH splash10-03di-4913000000-7aed1ed190b9384a027b
Source of Spectrum F-72-2252-23.3
Synonyms (4aR,7aS,8S)-6-(3,4-dimethoxyphenethyl)-7-oxo-4a,5,6,7,7a,8-hexahydro-4H-furo[2,3-f]isoindole-8-carboxylic acid
Wiley ID 1805917