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(E)-4-[(1R,4S,5R)-5-((E)-5-(Benzenesulfonyl-3-methyl-3-pentenyl)-1-methyl-4-(2-methyl[1,3]dioxolan-2-yl)-2-cyclopentenyl]-2-methyl-2-buten-1-ol
SpectraBase Compound ID LGRiLr4fyvt
InChI InChI=1S/C27H38O5S/c1-21(14-19-33(29,30)23-8-6-5-7-9-23)10-11-24-25(27(4)31-17-18-32-27)13-16-26(24,3)15-12-22(2)20-28/h5-9,12-14,16,24-25,28H,10-11,15,17-20H2,1-4H3/b21-14+,22-12+/t24-,25+,26-/m1/s1
InChIKey ZPEWROHFNQDWBN-GAOOTIJFSA-N
Mol Weight 474.7 g/mol
Molecular Formula C27H38O5S
Exact Mass 474.243995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZorIBp6EXz
Name (E)-4-[(1R,4S,5R)-5-((E)-5-(Benzenesulfonyl-3-methyl-3-pentenyl)-1-methyl-4-(2-methyl[1,3]dioxolan-2-yl)-2-cyclopentenyl]-2-methyl-2-buten-1-ol
Alternate Name(s) (E)-4-[(1R,4S,5R)-5-[(E)-5-(benzenesulfonyl)-3-methylpent-3-enyl]-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1-cyclopent-2-enyl]-2-methyl-2-buten-1-ol (E)-4-[(1R,4S,5R)-5-[(E)-5-(benzenesulfonyl)-3-methylpent-3-enyl]-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-2-en-1-yl]-2-methylbut-2-en-1-ol (E)-4-[(1R,4S,5R)-5-[(E)-5-(benzenesulfonyl)-3-methyl-pent-3-enyl]-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-2-en-1-yl]-2-methyl-but-2-en-1-ol (E)-2-methyl-4-[(1R,4S,5R)-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-5-[(E)-3-methyl-5-(phenylsulfonyl)pent-3-enyl]cyclopent-2-en-1-yl]but-2-en-1-ol
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Formula C27H38O5S
InChI InChI=1S/C27H38O5S/c1-21(14-19-33(29,30)23-8-6-5-7-9-23)10-11-24-25(27(4)31-17-18-32-27)13-16-26(24,3)15-12-22(2)20-28/h5-9,12-14,16,24-25,28H,10-11,15,17-20H2,1-4H3/b21-14+,22-12+/t24-,25+,26-/m1/s1
InChIKey ZPEWROHFNQDWBN-GAOOTIJFSA-N
Molecular Weight 474.656 g/mol
SMILES OC\C(=C\C[C@]1([C@@]([C@@](C2(OCCO2)C)(C=C1)[H])(CC\C(=C\CS(=O)(=O)c1ccccc1)C)[H])C)C
SPLASH splash10-000i-9000000000-90761c9f928d0727fa8d
Source of Spectrum F-59-71-25
Wiley ID 1712076