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(2R,3R,4E,8E)-1,3-Di-O benzyl-2-O-methylsulfonyl-7-(phenylthio)-4,8-octadecadiene-1,2,3-triol

View entire compound with spectra: 1 MS (GC)

(2R,3R,4E,8E)-1,3-Di-O benzyl-2-O-methylsulfonyl-7-(phenylthio)-4,8-octadecadiene-1,2,3-triol
SpectraBase Compound ID zc4jAgSIW6
InChI InChI=1S/C39H52O5S2/c1-3-4-5-6-7-8-9-10-18-26-37(45-36-27-19-13-20-28-36)29-21-30-38(43-32-35-24-16-12-17-25-35)39(44-46(2,40)41)33-42-31-34-22-14-11-15-23-34/h11-28,30,37-39H,3-10,29,31-33H2,1-2H3/b26-18+,30-21+/t37?,38-,39-/m1/s1
InChIKey UCARWKIJTYOJST-ZWCFEDPOSA-N
Mol Weight 665.0 g/mol
Molecular Formula C39H52O5S2
Exact Mass 664.325617 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mpDAtOLyhO
Name (2R,3R,4E,8E)-1,3-Di-O benzyl-2-O-methylsulfonyl-7-(phenylthio)-4,8-octadecadiene-1,2,3-triol
Alternate Name(s) (1R,2R,3E,7E)-2-(benzyloxy)-1-[(benzyloxy)methyl]-6-(phenylsulfanyl)-3,7-heptadecadienyl methanesulfonate Methanesulfonic acid[(1R,2R,3E,7E)-2-benzoxy-1-(benzoxymethyl)-6-(phenylthio)heptadeca-3,7-dienyl]ester Methanesulfonic acid[(2R,3R,4E,8E)-1,3-bis(phenylmethoxy)-7-(phenylthio)octadeca-4,8-dien-2-yl]ester [(1R,2R,3E,7E)-2-benzyloxy-1-(benzyloxymethyl)-6-phenylsulfanyl-heptadeca-3,7-dienyl]methanesulfonate [(2R,3R,4E,8E)-1,3-bis(phenylmethoxy)-7-phenylsulfanyl-octadeca-4,8-dien-2-yl]methanesulfonate Methanesulfonic acid [(2R,3R,4E,8E)-1,3-bis(phenylmethoxy)-7-(phenylthio)octadeca-4,8-dien-2-yl] ester [(2R,3R,4E,8E)-1,3-bis(phenylmethoxy)-7-phenylsulfanyloctadeca-4,8-dien-2-yl] methanesulfonate [(1R,2R,3E,7E)-2-benzyloxy-1-(benzyloxymethyl)-6-phenylsulfanyl-heptadeca-3,7-dienyl] methanesulfonate [(2R,3R,4E,8E)-1,3-bis(phenylmethoxy)-7-phenylsulfanyl-octadeca-4,8-dien-2-yl] methanesulfonate
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Formula C39H52O5S2
InChI InChI=1S/C39H52O5S2/c1-3-4-5-6-7-8-9-10-18-26-37(45-36-27-19-13-20-28-36)29-21-30-38(43-32-35-24-16-12-17-25-35)39(44-46(2,40)41)33-42-31-34-22-14-11-15-23-34/h11-28,30,37-39H,3-10,29,31-33H2,1-2H3/b26-18+,30-21+/t37?,38-,39-/m1/s1
InChIKey UCARWKIJTYOJST-ZWCFEDPOSA-N
Molecular Weight 664.960 g/mol
SMILES [C@@](OS(=O)(=O)C)([C@](OCc1ccccc1)(\C=C\CC(Sc1ccccc1)\C=C\CCCCCCCCC)[H])(COCc1ccccc1)[H]
SPLASH splash10-0zfr-0090000000-d17d0a3eea2b653bb1cc
Source of Spectrum J-65-8150-23
Wiley ID 1533907