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2-{(2E,4E,6E,8E)-[3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoylamino]}-5-hydroxyphenyl Butanoate

View entire compound with spectra: 1 MS (GC)

2-{(2E,4E,6E,8E)-[3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoylamino]}-5-hydroxyphenyl Butanoate
SpectraBase Compound ID BIK2JUVhhvA
InChI InChI=1S/C30H39NO4/c1-7-10-29(34)35-27-20-24(32)15-17-26(27)31-28(33)19-22(3)12-8-11-21(2)14-16-25-23(4)13-9-18-30(25,5)6/h8,11-12,14-17,19-20,32H,7,9-10,13,18H2,1-6H3,(H,31,33)/b12-8+,16-14+,21-11+,22-19+
InChIKey FNUSSWMKKNWQFY-WTVVCSNPSA-N
Mol Weight 477.6 g/mol
Molecular Formula C30H39NO4
Exact Mass 477.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID l1Tv3QlXZA
Name 2-{(2E,4E,6E,8E)-[3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoylamino]}-5-hydroxyphenyl Butanoate
Alternate Name(s) 15-[2-(butyryloxy)-4-hydroxyanilino]retinal Butanoic acid[2-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]-5-hydroxyphenyl]ester Butyric acid[2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-hydroxy-phenyl]ester [2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-hydroxy-phenyl]butanoate [2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-oxidanyl-phenyl]butanoate Butanoic acid [2-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]-5-hydroxyphenyl] ester [2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-hydroxyphenyl] butanoate [2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-hydroxy-phenyl] butanoate [2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-oxidanyl-phenyl] butanoate
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Formula C30H39NO4
InChI InChI=1S/C30H39NO4/c1-7-10-29(34)35-27-20-24(32)15-17-26(27)31-28(33)19-22(3)12-8-11-21(2)14-16-25-23(4)13-9-18-30(25,5)6/h8,11-12,14-17,19-20,32H,7,9-10,13,18H2,1-6H3,(H,31,33)/b12-8+,16-14+,21-11+,22-19+
InChIKey FNUSSWMKKNWQFY-WTVVCSNPSA-N
Molecular Weight 477.645 g/mol
SMILES N(C(\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)=O)c1ccc(cc1OC(=O)CCC)O
SPLASH splash10-004i-0330900000-16d56a814a8aa2b98287
Source of Spectrum E2-52-504-3
Wiley ID 1556405