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3-Methyl-2-[3-methyl-2-[(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-B
SpectraBase Compound ID 4U67iBUDGAH
InChI InChI=1S/C22H36N2O9/c1-9(2)11(17(25)24-12(10(3)4)19(27)28)23-18(26)15-13-14(31-21(5,6)30-13)16-20(29-15)33-22(7,8)32-16/h9-16,20H,1-8H3,(H,23,26)(H,24,25)(H,27,28)/t11?,12?,13-,14+,15-,16+,20-/m1/s1
InChIKey KITUNTLZXUHISK-GVIFVBOJSA-N
Mol Weight 472.5 g/mol
Molecular Formula C22H36N2O9
Exact Mass 472.242081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rLLomdEUl5
Name 3-Methyl-2-[3-methyl-2-[(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-B
Alternate Name(s) 3-Methyl-2-[3-methyl-2-({4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0(2,6)]dodecan-8-yl}formamido)butanamido]butanoic acid 4',5'-d]pyran-5-carbonyl)-amino]-butyrylamino]-butyric acid 3-Methyl-2-[[3-methyl-1-oxo-2-[[oxo-(2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[5,4-a:5',4'-d]pyran-5-yl)methyl]amino]butyl]amino]butanoic acid 3-Methyl-2-[[3-methyl-2-[(2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[5,4-a:5',4'-d]pyran-5-carbonyl)amino]butanoyl]amino]butanoic acid 3-Methyl-2-[[3-methyl-2-[(2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[5,4-a:5',4'-d]pyran-5-yl)carbonylamino]butanoyl]amino]butanoic acid
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Formula C22H36N2O9
InChI InChI=1S/C22H36N2O9/c1-9(2)11(17(25)24-12(10(3)4)19(27)28)23-18(26)15-13-14(31-21(5,6)30-13)16-20(29-15)33-22(7,8)32-16/h9-16,20H,1-8H3,(H,23,26)(H,24,25)(H,27,28)/t11?,12?,13-,14+,15-,16+,20-/m1/s1
InChIKey KITUNTLZXUHISK-GVIFVBOJSA-N
Molecular Weight 472.535 g/mol
SMILES N(C([C@]1([C@]2([C@@]([C@]3([C@](O1)(OC(O3)(C)C)[H])[H])(OC(O2)(C)C)[H])[H])[H])=O)C(C(NC(C(O)=O)C(C)C)=O)C(C)C
SPLASH splash10-0596-9220000000-5dba22938d3c6ad9c392
Wiley ID 1444574