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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-3-hydroxybutanoate
SpectraBase Compound ID DobutZZp208
InChI InChI=1S/C30H39NO4/c1-21(12-17-27-23(3)11-8-18-30(27,5)6)9-7-10-22(2)19-28(33)31-25-13-15-26(16-14-25)35-29(34)20-24(4)32/h7,9-10,12-17,19,24,32H,8,11,18,20H2,1-6H3,(H,31,33)/b10-7+,17-12+,21-9+,22-19+
InChIKey CUOBTWCFJMVGGW-COGSUIBOSA-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 IyiUsBapZ6f
Name 4-{[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoyl]amino}phenyl-3-hydroxybutanoate
Alternate Name(s) 15-{4-[(3-Hydroxybutanoyl)oxy]anilino}retinal 3-Hydroxybutanoic 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] 3-hydroxybutanoate [4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl] 3-oxidanylbutanoate
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Formula C30H39NO4
InChI InChI=1S/C30H39NO4/c1-21(12-17-27-23(3)11-8-18-30(27,5)6)9-7-10-22(2)19-28(33)31-25-13-15-26(16-14-25)35-29(34)20-24(4)32/h7,9-10,12-17,19,24,32H,8,11,18,20H2,1-6H3,(H,31,33)/b10-7+,17-12+,21-9+,22-19+
InChIKey CUOBTWCFJMVGGW-COGSUIBOSA-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(OC(CC(O)C)=O)cc1
SPLASH splash10-0aor-8921100000-698a22675c3409fefd63
Source of Spectrum QC-23-1808-3
Wiley ID 1584006