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3.alpha.,5-Dimethyl-3.beta.-hydroxy-9.beta.-tosyloxy-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane
SpectraBase Compound ID IjmqUkMBgFy
InChI InChI=1S/C18H22O6S/c1-9-4-6-10(7-5-9)25(20,21)23-16-11-8-12-14-13(11)17(2,19)24-18(14,3)22-15(12)16/h4-7,11-16,19H,8H2,1-3H3/t11-,12+,13?,14?,15-,16+,17+,18?/m1/s1
InChIKey UPLJZSGDYXHYNW-NXNRSXPNSA-N
Mol Weight 366.43 g/mol
Molecular Formula C18H22O6S
Exact Mass 366.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLemdZ5bfjA
Name 3.alpha.,5-Dimethyl-3.beta.-hydroxy-9.beta.-tosyloxy-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane
Comments Less than 3 mono-isotopic peaks
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Formula C18H22O6S
InChI InChI=1S/C18H22O6S/c1-9-4-6-10(7-5-9)25(20,21)23-16-11-8-12-14-13(11)17(2,19)24-18(14,3)22-15(12)16/h4-7,11-16,19H,8H2,1-3H3/t11-,12+,13?,14?,15-,16+,17+,18?/m1/s1
InChIKey UPLJZSGDYXHYNW-NXNRSXPNSA-N
Molecular Weight 366.428 g/mol
SMILES O[C@]1(OC2(C3C1[C@]1(C[C@@]3([C@]([C@]1(OS(c1ccc(cc1)C)(=O)=O)[H])(O2)[H])[H])[H])C)C
SPLASH splash10-03di-0090000000-4ba4c3dd5dc34607f7a6
Source of Spectrum F-56-346-12
Synonyms (4S,9S)-4-hydroxy-4,6-dimethyl-5,7-dioxatetracyclo[6.3.0.0(2,6).0(3,10)]undec-9-yl 4-methylbenzenesulfonate 3.alpha.,5-Dimethyl-3.beta.-hydroxy-9.beta.-tosyl-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane
Wiley ID 855588