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Methyl cis-{3,4-dihydro-5,8-dimethoxy-1-methyl-7-[(4',4'-dimethyl-2',6'-dioxo-3',5'-dioxan-1'-yl)methyleneamino]-1H-2-benzopyran-3-yl}acetate

View entire compound with spectra: 1 MS (GC)

Methyl cis-{3,4-dihydro-5,8-dimethoxy-1-methyl-7-[(4',4'-dimethyl-2',6'-dioxo-3',5'-dioxan-1'-yl)methyleneamino]-1H-2-benzopyran-3-yl}acetate
SpectraBase Compound ID EgZRA924nVY
InChI InChI=1S/C22H27NO9/c1-11-18-13(7-12(30-11)8-17(24)28-5)16(27-4)9-15(19(18)29-6)23-10-14-20(25)31-22(2,3)32-21(14)26/h9-12,14H,7-8H2,1-6H3/b23-10+/t11-,12-/m1/s1
InChIKey CXNHMDZIZPZBIU-BBCVTTPKSA-N
Mol Weight 449.46 g/mol
Molecular Formula C22H27NO9
Exact Mass 449.168581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Tlkz3lg3Ny
Name Methyl cis-{3,4-dihydro-5,8-dimethoxy-1-methyl-7-[(4',4'-dimethyl-2',6'-dioxo-3',5'-dioxan-1'-yl)methyleneamino]-1H-2-benzopyran-3-yl}acetate
Alternate Name(s) Methyl ((1R,3R)-7-{[(E)-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)methylidene]amino}-5,8-dimethoxy-1-methyl-3,4-dihydro-1H-2-benzopyran-3-yl)acetate
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Formula C22H27NO9
InChI InChI=1S/C22H27NO9/c1-11-18-13(7-12(30-11)8-17(24)28-5)16(27-4)9-15(19(18)29-6)23-10-14-20(25)31-22(2,3)32-21(14)26/h9-12,14H,7-8H2,1-6H3/b23-10+/t11-,12-/m1/s1
InChIKey CXNHMDZIZPZBIU-BBCVTTPKSA-N
Molecular Weight 449.456 g/mol
SMILES c12c(c(OC)cc(c2OC)\N=C\C2C(OC(OC2=O)(C)C)=O)C[C@@](O[C@@]1(C)[H])(CC(=O)OC)[H]
SPLASH splash10-014i-0009200000-5472f97b66ae643982bb
Source of Spectrum SO-0-570-10
Wiley ID 874373