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(1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha,9.alpha.,13.alpha.,16.alpha.,17.alpha.)-16,17-Bis[(p-toluenesulfonyl)oxymethyl]-11-oxapentacyclo[6.5.2.2(3,6).0(2,7).0(9,13)]hepta-4,14-diene
SpectraBase Compound ID BgvY5OyYddi
InChI InChI=1S/C32H36O7S2/c1-19-3-7-21(8-4-19)40(33,34)38-17-29-25-13-14-26(30(29)18-39-41(35,36)22-9-5-20(2)6-10-22)32-24-12-11-23(31(25)32)27-15-37-16-28(24)27/h3-14,23-32H,15-18H2,1-2H3/t23-,24+,25+,26-,27+,28-,29-,30-,31+,32-/m1/s1
InChIKey DIEUINOZXCGAGZ-NAZNIGNMSA-N
Mol Weight 596.8 g/mol
Molecular Formula C32H36O7S2
Exact Mass 596.190246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfxSMsX9nvU
Name (1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha,9.alpha.,13.alpha.,16.alpha.,17.alpha.)-16,17-Bis[(p-toluenesulfonyl)oxymethyl]-11-oxapentacyclo[6.5.2.2(3,6).0(2,7).0(9,13)]hepta-4,14-diene
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Formula C32H36O7S2
InChI InChI=1S/C32H36O7S2/c1-19-3-7-21(8-4-19)40(33,34)38-17-29-25-13-14-26(30(29)18-39-41(35,36)22-9-5-20(2)6-10-22)32-24-12-11-23(31(25)32)27-15-37-16-28(24)27/h3-14,23-32H,15-18H2,1-2H3/t23-,24+,25+,26-,27+,28-,29-,30-,31+,32-/m1/s1
InChIKey DIEUINOZXCGAGZ-NAZNIGNMSA-N
Molecular Weight 596.753 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@@]1([C@]2([C@]3([C@]([C@@]4([C@@]5([C@]([C@]3(C=C4)[H])(COC5)[H])[H])[H])([C@@]([C@]1(COS(c1ccc(C)cc1)(=O)=O)[H])(C=C2)[H])[H])[H])[H])[H]
SPLASH splash10-0udi-8290100000-eb2f008ed5ac37891f0f
Source of Spectrum F-56-5388-14
Wiley ID 857832