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exo-Methyl (2R,3R,3aR)-2-[1,1-[1,4-bis(2-methoxyphenyl)-2,3-butylenedioxy]ethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate

View entire compound with spectra: 1 MS (GC)

exo-Methyl (2R,3R,3aR)-2-[1,1-[1,4-bis(2-methoxyphenyl)-2,3-butylenedioxy]ethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
SpectraBase Compound ID LWhWrbXmxtr
InChI InChI=1S/C29H37NO7/c1-29(27-26(28(31)34-4)21-13-9-10-16-30(21)37-27)35-24(17-19-11-5-7-14-22(19)32-2)25(36-29)18-20-12-6-8-15-23(20)33-3/h5-8,11-12,14-15,21,24-27H,9-10,13,16-18H2,1-4H3/t21-,24?,25?,26-,27-,29?/m1/s1
InChIKey ZWXFDGQESHYZNH-HTTGAUIASA-N
Mol Weight 511.6 g/mol
Molecular Formula C29H37NO7
Exact Mass 511.257003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80maCf0ufk9
Name exo-Methyl (2R,3R,3aR)-2-[1,1-[1,4-bis(2-methoxyphenyl)-2,3-butylenedioxy]ethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
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Formula C29H37NO7
InChI InChI=1S/C29H37NO7/c1-29(27-26(28(31)34-4)21-13-9-10-16-30(21)37-27)35-24(17-19-11-5-7-14-22(19)32-2)25(36-29)18-20-12-6-8-15-23(20)33-3/h5-8,11-12,14-15,21,24-27H,9-10,13,16-18H2,1-4H3/t21-,24?,25?,26-,27-,29?/m1/s1
InChIKey ZWXFDGQESHYZNH-HTTGAUIASA-N
Molecular Weight 511.615 g/mol
SMILES [C@@]1(C2(OC(Cc3c(OC)cccc3)C(O2)Cc2c(OC)cccc2)C)([C@@]([C@]2(CCCCN2O1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-0b03-0933000000-04964d2b35e07549b05e
Source of Spectrum KD-12-1754-20
Synonyms exo-Methyl (2R,3R,3aR/S)-2-[1,1-[(2S,3S)-1,4-bis(2-methoxyphenyl)-2,3-butylenedioxy]ethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate Methyl (2R,3R,3aR)-2-[4,5-bis(2-methoxybenzyl)-2-methyl-1,3-dioxolan-2-yl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
Wiley ID 1634525