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4-{[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoyl]amino}phenyl-2-oxopropanoate

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4-{[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoyl]amino}phenyl-2-oxopropanoate
SpectraBase Compound ID IUDdGY8sdDG
InChI InChI=1S/C29H35NO4/c1-20(12-17-26-22(3)11-8-18-29(26,5)6)9-7-10-21(2)19-27(32)30-24-13-15-25(16-14-24)34-28(33)23(4)31/h7,9-10,12-17,19H,8,11,18H2,1-6H3,(H,30,32)/b10-7+,17-12+,20-9+,21-19+
InChIKey POHOWXMFHKBZSJ-ABRSJASVSA-N
Mol Weight 461.6 g/mol
Molecular Formula C29H35NO4
Exact Mass 461.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOpOA65XYNZ
Name 4-{[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoyl]amino}phenyl-2-oxopropanoate
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Formula C29H35NO4
InChI InChI=1S/C29H35NO4/c1-20(12-17-26-22(3)11-8-18-29(26,5)6)9-7-10-21(2)19-27(32)30-24-13-15-25(16-14-24)34-28(33)23(4)31/h7,9-10,12-17,19H,8,11,18H2,1-6H3,(H,30,32)/b10-7+,17-12+,20-9+,21-19+
InChIKey POHOWXMFHKBZSJ-ABRSJASVSA-N
Molecular Weight 461.602 g/mol
SMILES N(C(\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)=O)c1ccc(OC(C(=O)C)=O)cc1
SPLASH splash10-0aos-4921100000-9088143867da66747e4b
Source of Spectrum QC-23-1808-1
Synonyms 15-[4-(Pyruvoyloxy)anilino]retinal 2-ketopropionic acid[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl]ester 2-Oxopropanoic acid[4-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]phenyl]ester [4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl]2-oxidanylidenepropanoate [4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl]2-oxopropanoate 2-Oxopropanoic acid [4-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]phenyl] ester [4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl] 2-oxopropanoate [4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl] 2-oxidanylidenepropanoate
Wiley ID 1584008