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Methyl 6,6-Dimethyl-5-oxo-3-[2-[3-(benzyloxycarbonyl)-2-azabicyclo[3.3.0]oct-2-yl]-2-oxoethyl]heptanoate
SpectraBase Compound ID JDBrL74tfE6
InChI InChI=1S/C27H37NO6/c1-27(2,3)23(29)13-19(15-25(31)33-4)14-24(30)28-21-12-8-11-20(21)16-22(28)26(32)34-17-18-9-6-5-7-10-18/h5-7,9-10,19-22H,8,11-17H2,1-4H3/t19?,20-,21-,22-/m0/s1
InChIKey YLGNQYJKIAOBOV-JTGDWONASA-N
Mol Weight 471.6 g/mol
Molecular Formula C27H37NO6
Exact Mass 471.262088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HDkJ1ewcPx
Name Methyl 6,6-Dimethyl-5-oxo-3-[2-[3-(benzyloxycarbonyl)-2-azabicyclo[3.3.0]oct-2-yl]-2-oxoethyl]heptanoate
Alternate Name(s) (2S,3aS,6aS)-Methyl 6,6-Dimethyl-5-oxo-3-[2-[3-(benzyloxycarbonyl)-2-azabicyclo[3.3.0]oct-2-yl]-2-oxoethyl]heptanoate benzyl 1-[3-(2-methoxy-2-oxoethyl)-6,6-dimethyl-5-oxoheptanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylate
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Formula C27H37NO6
InChI InChI=1S/C27H37NO6/c1-27(2,3)23(29)13-19(15-25(31)33-4)14-24(30)28-21-12-8-11-20(21)16-22(28)26(32)34-17-18-9-6-5-7-10-18/h5-7,9-10,19-22H,8,11-17H2,1-4H3/t19?,20-,21-,22-/m0/s1
InChIKey YLGNQYJKIAOBOV-JTGDWONASA-N
Molecular Weight 471.594 g/mol
SMILES [C@]1(N([C@@]2([C@](C1)(CCC2)[H])[H])C(CC(CC(C(C)(C)C)=O)CC(=O)OC)=O)(C(OCc1ccccc1)=O)[H]
SPLASH splash10-03di-5910300000-1290300d5384a3bb289d
Source of Spectrum F-52-14590-23
Wiley ID 799669