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(1S,5R)-2-{(Z)-1-[(1R,2R)-2-Hydroxy-1-hydroxymethyl-2-(4-nitrophenyl)ethylamino]ethylidene}-6,6-dimethylbicyclo[3.1.0]hexan-3-one

View entire compound with spectra: 1 MS (GC)

(1S,5R)-2-{(Z)-1-[(1R,2R)-2-Hydroxy-1-hydroxymethyl-2-(4-nitrophenyl)ethylamino]ethylidene}-6,6-dimethylbicyclo[3.1.0]hexan-3-one
SpectraBase Compound ID qKA6ZJEHrN
InChI InChI=1S/C19H24N2O5/c1-10(16-15(23)8-13-17(16)19(13,2)3)20-14(9-22)18(24)11-4-6-12(7-5-11)21(25)26/h4-7,13-14,17-18,20,22,24H,8-9H2,1-3H3/b16-10+/t13-,14-,17-,18-/m1/s1
InChIKey WXEVZMZTHQDYCI-KVQXGNOLSA-N
Mol Weight 360.41 g/mol
Molecular Formula C19H24N2O5
Exact Mass 360.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CA9Qjj0cf7h
Name (1S,5R)-2-{(Z)-1-[(1R,2R)-2-Hydroxy-1-hydroxymethyl-2-(4-nitrophenyl)ethylamino]ethylidene}-6,6-dimethylbicyclo[3.1.0]hexan-3-one
Alternate Name(s) (1R,4Z,5S)-4-[1-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]ethylidene]-6,6-dimethyl-3-bicyclo[3.1.0]hexanone (1R,4Z,5S)-4-[1-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]ethylidene]-6,6-dimethylbicyclo[3.1.0]hexan-3-one (1R,4Z,5S)-4-[1-[[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]ethylidene]-6,6-dimethyl-bicyclo[3.1.0]hexan-3-one (1R,4Z,5S)-4-[1-[[(1R,2R)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]amino]ethylidene]-6,6-dimethyl-bicyclo[3.1.0]hexan-3-one (1R,4Z,5S)-6,6-dimethyl-4-[1-[[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]amino]ethylidene]bicyclo[3.1.0]hexan-3-one (1S,2Z,5R)-2-(1-{[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino}ethylidene)-6,6-dimethylbicyclo[3.1.0]hexan-3-one (1S,2Z,5R)-2-[1-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]ethylidene]-6,6-dimethyl-3-bicyclo[3.1.0]hexanone (1S,2Z,5R)-2-[1-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]ethylidene]-6,6-dimethylbicyclo[3.1.0]hexan-3-one (1S,2Z,5R)-2-[1-[[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]ethylidene]-6,6-dimethyl-bicyclo[3.1.0]hexan-3-one (1S,2Z,5R)-6,6-dimethyl-2-[1-[[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]amino]ethylidene]bicyclo[3.1.0]hexan-3-one
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Formula C19H24N2O5
InChI InChI=1S/C19H24N2O5/c1-10(16-15(23)8-13-17(16)19(13,2)3)20-14(9-22)18(24)11-4-6-12(7-5-11)21(25)26/h4-7,13-14,17-18,20,22,24H,8-9H2,1-3H3/b16-10+/t13-,14-,17-,18-/m1/s1
InChIKey WXEVZMZTHQDYCI-KVQXGNOLSA-N
Molecular Weight 360.410 g/mol
SMILES N(\C(=C\1[C@@]2(C(C)(C)[C@@]2(CC1=O)[H])[H])C)[C@](CO)([C@@](c1ccc(N(=O)=O)cc1)(O)[H])[H]
SPLASH splash10-0a4i-6191000000-98db14a73f7ec36448dc
Source of Spectrum KD-14-237-6
Wiley ID 1635783