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4-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]phenoxy]-4-oxobutanoic acid
SpectraBase Compound ID 1ZqW5SCdtD1
InChI InChI=1S/C30H37NO5/c1-21(11-16-26-23(3)10-7-19-30(26,4)5)8-6-9-22(2)20-27(32)31-24-12-14-25(15-13-24)36-29(35)18-17-28(33)34/h6,8-9,11-16,20H,7,10,17-19H2,1-5H3,(H,31,32)(H,33,34)/b9-6+,16-11+,21-8+,22-20+
InChIKey MUOMKVPEEAUMON-OHEFLVKWSA-N
Mol Weight 491.6 g/mol
Molecular Formula C30H37NO5
Exact Mass 491.267173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UDeTyrWOxM
Name 4-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]phenoxy]-4-oxobutanoic acid
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Formula C30H37NO5
InChI InChI=1S/C30H37NO5/c1-21(11-16-26-23(3)10-7-19-30(26,4)5)8-6-9-22(2)20-27(32)31-24-12-14-25(15-13-24)36-29(35)18-17-28(33)34/h6,8-9,11-16,20H,7,10,17-19H2,1-5H3,(H,31,32)(H,33,34)/b9-6+,16-11+,21-8+,22-20+
InChIKey MUOMKVPEEAUMON-OHEFLVKWSA-N
Molecular Weight 491.628 g/mol
SMILES N(c1ccc(OC(CCC(=O)O)=O)cc1)C(\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)=O
SPLASH splash10-0a4i-9100300000-5a0bdca3e57da81a7518
Source of Spectrum QC-23-1808-5
Synonyms 4-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenoxy]-4-keto-butyric acid 4-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenoxy]-4-oxidanylidene-butanoic acid 4-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenoxy]-4-oxo-butanoic acid
Wiley ID 1584004