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

View entire compound with spectra: 1 MS (GC)

5-{(2E,4E,6E,8E)-[3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoylamino]}-2-hydroxyphenyl Butanoate
SpectraBase Compound ID B2ce0lZ3J2E
InChI InChI=1S/C30H39NO4/c1-7-10-29(34)35-27-20-24(15-17-26(27)32)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 SZZHSUPETBFJLT-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 Ci0Ggx2Vu7n
Name 5-{(2E,4E,6E,8E)-[3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoylamino]}-2-hydroxyphenyl Butanoate
Alternate Name(s) 15-[3-(butyryloxy)-4-hydroxyanilino]retinal Butanoic acid[5-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]-2-hydroxyphenyl]ester Butyric acid[5-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-2-hydroxy-phenyl]ester [5-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-2-hydroxy-phenyl]butanoate [5-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-2-oxidanyl-phenyl]butanoate Butanoic acid [5-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]-2-hydroxyphenyl] ester [5-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-2-hydroxyphenyl] butanoate [5-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-2-hydroxy-phenyl] butanoate [5-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-2-oxidanyl-phenyl] butanoate
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Formula C30H39NO4
InChI InChI=1S/C30H39NO4/c1-7-10-29(34)35-27-20-24(15-17-26(27)32)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 SZZHSUPETBFJLT-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(c(c1)OC(=O)CCC)O
SPLASH splash10-004i-0022900000-1267d872b95ab58c6d0c
Source of Spectrum E2-52-504-4
Wiley ID 1556404