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3-Buten-2-one, 1-(5,6,7,8-tetrahydro-4-methoxy-6-methyl[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(2,6,6-trimethyl-1-cyclohexenyl)-
SpectraBase Compound ID AVLCpYs7ipA
InChI InChI=1S/C25H33NO4/c1-16-7-6-11-25(2,3)19(16)9-8-18(27)14-20-22-17(10-12-26(20)4)13-21-23(24(22)28-5)30-15-29-21/h8-9,13,20H,6-7,10-12,14-15H2,1-5H3/b9-8+
InChIKey LXWQRNTZFGLEAV-CMDGGOBGSA-N
Mol Weight 411.5 g/mol
Molecular Formula C25H33NO4
Exact Mass 411.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rOi2bFDifz
Name 3-Buten-2-one, 1-(5,6,7,8-tetrahydro-4-methoxy-6-methyl[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(2,6,6-trimethyl-1-cyclohexenyl)-
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Formula C25H33NO4
InChI InChI=1S/C25H33NO4/c1-16-7-6-11-25(2,3)19(16)9-8-18(27)14-20-22-17(10-12-26(20)4)13-21-23(24(22)28-5)30-15-29-21/h8-9,13,20H,6-7,10-12,14-15H2,1-5H3/b9-8+
InChIKey LXWQRNTZFGLEAV-CMDGGOBGSA-N
Molecular Weight 411.542 g/mol
SMILES c12C(N(C)CCc2cc2OCOc2c1OC)CC(\C=C\C1=C(CCCC1(C)C)C)=O
SPLASH splash10-0006-9310000000-164593362a31660214df
Source of Spectrum IY-1-4607-0
Synonyms (E)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one (E)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Wiley ID 1654053