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[(1R,4S,4aR,9bS)-6-acetyl-4-hydroxy-1-isopropyl-9-methoxy-7-(p-tolylsulfonyloxy)-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-yl]methyl 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

[(1R,4S,4aR,9bS)-6-acetyl-4-hydroxy-1-isopropyl-9-methoxy-7-(p-tolylsulfonyloxy)-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-yl]methyl 4-methylbenzenesulfonate
SpectraBase Compound ID 4Vp6KWSRr5l
InChI InChI=1S/C33H38O10S2/c1-19(2)25-15-16-33(35,18-41-44(36,37)23-11-7-20(3)8-12-23)32-29(25)30-26(40-6)17-27(28(22(5)34)31(30)42-32)43-45(38,39)24-13-9-21(4)10-14-24/h7-14,17,19,25,29,32,35H,15-16,18H2,1-6H3/t25-,29+,32-,33+/m1/s1
InChIKey FWCVOITWCFGZDW-VDHJIAJXSA-N
Mol Weight 658.8 g/mol
Molecular Formula C33H38O10S2
Exact Mass 658.19064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3teBwDgEPQU
Name [(1R,4S,4aR,9bS)-6-acetyl-4-hydroxy-1-isopropyl-9-methoxy-7-(p-tolylsulfonyloxy)-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-yl]methyl 4-methylbenzenesulfonate
Alternate Name(s) [(1R,4S,4aR,9bS)-6-acetyl-4-hydroxy-9-methoxy-7-(4-methylphenyl)sulfonyloxy-1-propan-2-yl-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-yl]methyl 4-methylbenzenesulfonate [(1R,4S,4aR,9bS)-6-ethanoyl-9-methoxy-7-(4-methylphenyl)sulfonyloxy-4-oxidanyl-1-propan-2-yl-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-yl]methyl 4-methylbenzenesulfonate 4-methylbenzenesulfonic acid [(1R,4S,4aR,9bS)-6-acetyl-4-hydroxy-9-methoxy-7-(4-methylphenyl)sulfonyloxy-1-propan-2-yl-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-yl]methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C33H38O10S2
InChI InChI=1S/C33H38O10S2/c1-19(2)25-15-16-33(35,18-41-44(36,37)23-11-7-20(3)8-12-23)32-29(25)30-26(40-6)17-27(28(22(5)34)31(30)42-32)43-45(38,39)24-13-9-21(4)10-14-24/h7-14,17,19,25,29,32,35H,15-16,18H2,1-6H3/t25-,29+,32-,33+/m1/s1
InChIKey FWCVOITWCFGZDW-VDHJIAJXSA-N
Molecular Weight 658.777 g/mol
SMILES O[C@]1([C@@]2(Oc3c(c(OS(c4ccc(cc4)C)(=O)=O)cc(c3[C@@]2([C@](CC1)(C(C)C)[H])[H])OC)C(=O)C)[H])COS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-9000001000-e369542c3fac0fe6f241
Source of Spectrum F-68-1224-29
Wiley ID 1571805