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(3R,5aS,9aR,10aR)-5a-(Methoxycarbonyl)-7,8-dimethyl-5-oxo-3-phenyl-2,3,9,9a,10,10a-hexahydro-6H-oxazolo[3,2-b]isoquinoline

View entire compound with spectra: 2 MS (GC)

(3R,5aS,9aR,10aR)-5a-(Methoxycarbonyl)-7,8-dimethyl-5-oxo-3-phenyl-2,3,9,9a,10,10a-hexahydro-6H-oxazolo[3,2-b]isoquinoline
SpectraBase Compound ID EUSxZpSA2L
InChI InChI=1S/C21H25NO4/c1-13-9-16-10-18-22(17(12-26-18)15-7-5-4-6-8-15)19(23)21(16,11-14(13)2)20(24)25-3/h4-8,16-18H,9-12H2,1-3H3/t16-,17+,18-,21+/m1/s1
InChIKey UWEQGHKBHGCAHG-IIMDRIAPSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dm8ZkTh7Jw
Name (3R,5aS,9aR,10aR)-5a-(Methoxycarbonyl)-7,8-dimethyl-5-oxo-3-phenyl-2,3,9,9a,10,10a-hexahydro-6H-oxazolo[3,2-b]isoquinoline
Alternate Name(s) (3R,5aS,9aR,10aR)-5a-(Methoxycarbonyl)-7,8-dimethyl-5-oxo-3-phenyl-2,3,9,9a,10,10a-hexahydro-6H-oxazolo[3,2-b]isoquinoline isomer Methyl (3R,5aS,9aR,10aR)-7,8-dimethyl-5-oxo-3-phenyl-2,3,9,9a,10,10a-hexahydro-5H-[1,3]oxazolo[3,2-b]isoquinoline-5a(6H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-13-9-16-10-18-22(17(12-26-18)15-7-5-4-6-8-15)19(23)21(16,11-14(13)2)20(24)25-3/h4-8,16-18H,9-12H2,1-3H3/t16-,17+,18-,21+/m1/s1
InChIKey UWEQGHKBHGCAHG-IIMDRIAPSA-N
Molecular Weight 355.434 g/mol
SMILES [C@]12(C(N3[C@@](CO[C@@]3(C[C@]2(CC(=C(C1)C)C)[H])[H])(c1ccccc1)[H])=O)C(=O)OC
SPLASH splash10-0002-0291000000-5f6a8e4e50d744fe9a2b
Source of Spectrum KD-14-2038-11
Wiley ID 1636169