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2-[(3R,5R)-3,5-dimethyl-5-[(5E,9E)-2-methyl-10-phenyl-deca-5,9-dienyl]dioxolan-3-yl]acetic acid methyl ester
SpectraBase Compound ID 1zKjeHIRfau
InChI InChI=1S/C25H36O4/c1-21(18-24(2)20-25(3,29-28-24)19-23(26)27-4)14-10-7-5-6-8-11-15-22-16-12-9-13-17-22/h5,7,9,11-13,15-17,21H,6,8,10,14,18-20H2,1-4H3/b7-5+,15-11+/t21?,24-,25+/m1/s1
InChIKey GHRPFHNYOPGKTO-LEGLXJMISA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HoaPtn197zM
Name 2-[(3R,5R)-3,5-dimethyl-5-[(5E,9E)-2-methyl-10-phenyl-deca-5,9-dienyl]dioxolan-3-yl]acetic acid methyl ester
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Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-21(18-24(2)20-25(3,29-28-24)19-23(26)27-4)14-10-7-5-6-8-11-15-22-16-12-9-13-17-22/h5,7,9,11-13,15-17,21H,6,8,10,14,18-20H2,1-4H3/b7-5+,15-11+/t21?,24-,25+/m1/s1
InChIKey GHRPFHNYOPGKTO-LEGLXJMISA-N
Molecular Weight 400.559 g/mol
SMILES [C@@]1(OO[C@@](C1)(CC(CC\C=C\CC\C=C\c1ccccc1)C)C)(CC(=O)OC)C
SPLASH splash10-014i-1900000000-b36156a2da4270f09f09
Source of Spectrum J-56-6724-6
Synonyms 2-[(3R,5R)-3,5-dimethyl-5-[(5E,9E)-2-methyl-10-phenyldeca-5,9-dienyl]-3-dioxolanyl]acetic acid methyl ester Methyl 2-[(3R,5R)-3,5-dimethyl-5-[(5E,9E)-2-methyl-10-phenyl-deca-5,9-dienyl]-1,2-dioxolan-3-yl]ethanoate Methyl 2-[(3R,5R)-3,5-dimethyl-5-[(5E,9E)-2-methyl-10-phenyl-deca-5,9-dienyl]dioxolan-3-yl]acetate
Wiley ID 1369595