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(2R,3R,4E)-1,3-Di-O-benzoyl-2-O-methylsulfonyloctadec-4-ene-1,2,3-triol
SpectraBase Compound ID 82M9Xb2miTn
InChI InChI=1S/C33H46O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-30(39-33(35)29-24-19-16-20-25-29)31(40-41(2,36)37)27-38-32(34)28-22-17-15-18-23-28/h15-26,30-31H,3-14,27H2,1-2H3/b26-21+/t30-,31-/m1/s1
InChIKey ZZGGZSJLDXDNSH-SKWHYRQJSA-N
Mol Weight 586.8 g/mol
Molecular Formula C33H46O7S
Exact Mass 586.296425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pTYGVBgKkd
Name (2R,3R,4E)-1,3-Di-O-benzoyl-2-O-methylsulfonyloctadec-4-ene-1,2,3-triol
Alternate Name(s) (1R,2E)-1-{(1R)-2-(benzoyloxy)-1-[(methylsulfonyl)oxy]ethyl}-2-hexadecenyl benzoate benzoic acid[(E,2R,3R)-3-benzoyloxy-2-methylsulfonyloxy-octadec-4-enyl]ester [(E,2R,3R)-2-methylsulfonyloxy-3-(phenylcarbonyloxy)octadec-4-enyl]benzoate [(E,2R,3R)-3-benzoyloxy-2-methylsulfonyloxy-octadec-4-enyl]benzoate benzoic acid [(E,2R,3R)-3-benzoyloxy-2-methylsulfonyloxyoctadec-4-enyl] ester [(E,2R,3R)-3-benzoyloxy-2-methylsulfonyloxyoctadec-4-enyl] benzoate [(E,2R,3R)-3-benzoyloxy-2-methylsulfonyloxy-octadec-4-enyl] benzoate [(E,2R,3R)-2-methylsulfonyloxy-3-(phenylcarbonyloxy)octadec-4-enyl] benzoate
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Formula C33H46O7S
InChI InChI=1S/C33H46O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-30(39-33(35)29-24-19-16-20-25-29)31(40-41(2,36)37)27-38-32(34)28-22-17-15-18-23-28/h15-26,30-31H,3-14,27H2,1-2H3/b26-21+/t30-,31-/m1/s1
InChIKey ZZGGZSJLDXDNSH-SKWHYRQJSA-N
Molecular Weight 586.784 g/mol
SMILES [C@@](OS(=O)(=O)C)([C@](OC(=O)c1ccccc1)(\C=C\CCCCCCCCCCCCC)[H])(COC(=O)c1ccccc1)[H]
SPLASH splash10-0a6u-9523000000-c932a361d16ea55c0d33
Source of Spectrum SO-0-35-10
Wiley ID 875237