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(1R,3R,4S,6S,7S)-2-Oxa-3-methyl-5-azabicyclo[4.1.0]heptane-4,5,7-tricarboxylic acid - 5-Benzyl ester,7-t-Butyl ester,4-Methyl ester
SpectraBase Compound ID 9bbiuGwmgD
InChI InChI=1S/C21H27NO7/c1-12-15(19(24)26-5)22(20(25)27-11-13-9-7-6-8-10-13)16-14(17(16)28-12)18(23)29-21(2,3)4/h6-10,12,14-17H,11H2,1-5H3/t12-,14+,15+,16+,17-/m1/s1
InChIKey ACMSPFIBJMZZGA-YYESSZKYSA-N
Mol Weight 405.45 g/mol
Molecular Formula C21H27NO7
Exact Mass 405.178752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiNIh0gn6fK
Name (1R,3R,4S,6S,7S)-2-Oxa-3-methyl-5-azabicyclo[4.1.0]heptane-4,5,7-tricarboxylic acid - 5-Benzyl ester,7-t-Butyl ester,4-Methyl ester
Alternate Name(s) (1R,3R,4S,6S,7S)-5-benzyl 7-tert-butyl 4-methyl 3-methyl-2-oxa-5-azabicyclo[4.1.0]heptane-4,5,7-tricarboxylate (1S,3S,4R,6R,7S)-4-methyl-5-oxa-2-azabicyclo[4.1.0]heptane-2,3,7-tricarboxylic acid O7-tert-butyl ester O3-methyl ester O2-(phenylmethyl) ester 2-O-benzyl 7-O-tert-butyl 3-O-methyl (1S,3S,4R,6R,7S)-4-methyl-5-oxa-2-azabicyclo[4.1.0]heptane-2,3,7-tricarboxylate O2-benzyl O7-tert-butyl O3-methyl (1S,3S,4R,6R,7S)-4-methyl-5-oxa-2-azabicyclo[4.1.0]heptane-2,3,7-tricarboxylate O7-tert-butyl O3-methyl O2-(phenylmethyl) (1S,3S,4R,6R,7S)-4-methyl-5-oxa-2-azabicyclo[4.1.0]heptane-2,3,7-tricarboxylate
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Formula C21H27NO7
InChI InChI=1S/C21H27NO7/c1-12-15(19(24)26-5)22(20(25)27-11-13-9-7-6-8-10-13)16-14(17(16)28-12)18(23)29-21(2,3)4/h6-10,12,14-17H,11H2,1-5H3/t12-,14+,15+,16+,17-/m1/s1
InChIKey ACMSPFIBJMZZGA-YYESSZKYSA-N
Molecular Weight 405.447 g/mol
SMILES [C@]1([C@@]2(N([C@](C(=O)OC)([C@](O[C@]12[H])(C)[H])[H])C(OCc1ccccc1)=O)[H])(C(OC(C)(C)C)=O)[H]
SPLASH splash10-01ox-9050000000-976772d1838f72300e6b
Source of Spectrum F5-6-3335-18
Wiley ID 1733593