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2-[(3R,4R)-3-hydroxy-6-keto-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexen-1-yl]acetic acid methyl ester
SpectraBase Compound ID L8A20rJmZdT
InChI InChI=1S/C29H44O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)16-17-25-18-28(31)26(19-27(25)30)20-29(32)33-6/h10,12,14,16,19,25,27,30H,7-9,11,13,15,17-18,20H2,1-6H3/b22-12+,23-14+,24-16+/t25-,27+/m1/s1
InChIKey MENMOQUCYNYTBV-IKBJAONLSA-N
Mol Weight 456.7 g/mol
Molecular Formula C29H44O4
Exact Mass 456.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1B6tmb9Fkm
Name 2-[(3R,4R)-3-hydroxy-6-keto-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexen-1-yl]acetic acid methyl ester
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Formula C29H44O4
InChI InChI=1S/C29H44O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)16-17-25-18-28(31)26(19-27(25)30)20-29(32)33-6/h10,12,14,16,19,25,27,30H,7-9,11,13,15,17-18,20H2,1-6H3/b22-12+,23-14+,24-16+/t25-,27+/m1/s1
InChIKey MENMOQUCYNYTBV-IKBJAONLSA-N
Molecular Weight 456.667 g/mol
SMILES O[C@]1(C=C(C(C[C@]1(C\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)[H])=O)CC(=O)OC)[H]
SPLASH splash10-014r-9610200000-891d8c4fd46624ac0519
Source of Spectrum F-49-9282-1
Synonyms 2-[(3R,4R)-3-hydroxy-6-oxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-1-cyclohexenyl]acetic acid methyl ester Methyl 2-[(3R,4R)-3-hydroxy-6-oxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexen-1-yl]acetate Methyl 2-[(3R,4R)-3-oxidanyl-6-oxidanylidene-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexen-1-yl]ethanoate
Wiley ID 788427