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(1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha.)-11,12-Bis[(p-toluenesulfonyl)oxymethyl]-13,13-Ddmethoxytetracyclo[6.2.2.1(3,6).0(2,7)]trideca-4,9-diene
SpectraBase Compound ID 2Hx3Qt3wsaj
InChI InChI=1S/C31H36O8S2/c1-19-5-9-21(10-6-19)40(32,33)38-17-25-23-13-14-24(30-28-16-15-27(29(23)30)31(28,36-3)37-4)26(25)18-39-41(34,35)22-11-7-20(2)8-12-22/h5-16,23-30H,17-18H2,1-4H3/t23-,24+,25?,26?,27+,28-,29+,30-
InChIKey QNLGIMCMQHQVGQ-YDLTVXJASA-N
Mol Weight 600.7 g/mol
Molecular Formula C31H36O8S2
Exact Mass 600.18516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2EoE5kcD5D
Name (1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha.)-11,12-Bis[(p-toluenesulfonyl)oxymethyl]-13,13-Ddmethoxytetracyclo[6.2.2.1(3,6).0(2,7)]trideca-4,9-diene
Alternate Name(s) (1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha.)-11,12-Bis[(p-toluenesulfonyl)oxymethyl]-13,13-dmethoxytetracyclo[6.2.2.1(3,6).0(2,7)]trideca-4,9-diene
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Formula C31H36O8S2
InChI InChI=1S/C31H36O8S2/c1-19-5-9-21(10-6-19)40(32,33)38-17-25-23-13-14-24(30-28-16-15-27(29(23)30)31(28,36-3)37-4)26(25)18-39-41(34,35)22-11-7-20(2)8-12-22/h5-16,23-30H,17-18H2,1-4H3/t23-,24+,25?,26?,27+,28-,29+,30-
InChIKey QNLGIMCMQHQVGQ-YDLTVXJASA-N
Molecular Weight 600.741 g/mol
SMILES C1([C@]2([C@]3([C@@]4(C(COS(c5ccc(cc5)C)(=O)=O)C([C@]([C@]3([C@@]1(C=C2)[H])[H])(C=C4)[H])COS(c1ccc(cc1)C)(=O)=O)[H])[H])[H])(OC)OC
SPLASH splash10-052f-9420000000-a144195795379d647eeb
Source of Spectrum F-56-5387-7
Wiley ID 857837