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(3E,7E)-2-(benzenesulfonyl)-2-[(E)-4-hydroxy-2-methylbut-2-enyl]-4,8,12-trimethyltrideca-3,7,11-trienoic acid methyl ester
SpectraBase Compound ID BbX7Hexj9Vt
InChI InChI=1S/C28H40O5S/c1-22(2)12-10-13-23(3)14-11-15-24(4)20-28(27(30)33-6,21-25(5)18-19-29)34(31,32)26-16-8-7-9-17-26/h7-9,12,14,16-18,20,29H,10-11,13,15,19,21H2,1-6H3/b23-14+,24-20+,25-18+
InChIKey VIHZLNBUCWGUEC-PWCWPLKWSA-N
Mol Weight 488.7 g/mol
Molecular Formula C28H40O5S
Exact Mass 488.259646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jGcKyhLxze
Name (3E,7E)-2-(benzenesulfonyl)-2-[(E)-4-hydroxy-2-methylbut-2-enyl]-4,8,12-trimethyltrideca-3,7,11-trienoic acid methyl ester
Alternate Name(s) (3E,7E)-2-besyl-2-[(E)-4-hydroxy-2-methyl-but-2-enyl]-4,8,12-trimethyl-trideca-3,7,11-trienoic acid methyl ester Methyl (3E,7E)-2-(benzenesulfonyl)-2-[(E)-4-hydroxy-2-methyl-but-2-enyl]-4,8,12-trimethyl-trideca-3,7,11-trienoate Methyl (3E,7E)-4,8,12-trimethyl-2-[(E)-2-methyl-4-oxidanyl-but-2-enyl]-2-(phenylsulfonyl)trideca-3,7,11-trienoate
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Formula C28H40O5S
InChI InChI=1S/C28H40O5S/c1-22(2)12-10-13-23(3)14-11-15-24(4)20-28(27(30)33-6,21-25(5)18-19-29)34(31,32)26-16-8-7-9-17-26/h7-9,12,14,16-18,20,29H,10-11,13,15,19,21H2,1-6H3/b23-14+,24-20+,25-18+
InChIKey VIHZLNBUCWGUEC-PWCWPLKWSA-N
Molecular Weight 488.683 g/mol
SMILES OC\C=C\(CC(S(=O)(=O)c1ccccc1)(\C=C\(CC\C=C\(CCC=C(C)C)C)C)C(=O)OC)C
SPLASH splash10-014i-9310000000-7cc36b48bc71cd7db5b1
Source of Spectrum D1-1994-763-3
Wiley ID 834541