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Tetracyclo[11.5.2.0.(2,13).0(2,16)]eicosane-15,17,19-triol Tris(methyl xanthate)
SpectraBase Compound ID 9XKcqOiQ0VW
InChI InChI=1S/C26H40O3S6/c1-33-22(30)27-18-14-17-19(28-23(31)34-2)15-25-12-10-8-6-4-5-7-9-11-13-26(17,25)21(18)20(16-25)29-24(32)35-3/h17-21H,4-16H2,1-3H3/t17-,18?,19?,20?,21+,25?,26?/m1/s1
InChIKey MDOQHLNYHOUWMT-UHFFFAOYSA-N
Mol Weight 593.0 g/mol
Molecular Formula C26H40O3S6
Exact Mass 592.130172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AucwM3YwpK7
Name Tetracyclo[11.5.2.0.(2,13).0(2,16)]eicosane-15,17,19-triol Tris(methyl xanthate)
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Formula C26H40O3S6
InChI InChI=1S/C26H40O3S6/c1-33-22(30)27-18-14-17-19(28-23(31)34-2)15-25-12-10-8-6-4-5-7-9-11-13-26(17,25)21(18)20(16-25)29-24(32)35-3/h17-21H,4-16H2,1-3H3/t17-,18?,19?,20?,21+,25?,26?/m1/s1
InChIKey MDOQHLNYHOUWMT-UHFFFAOYSA-N
Molecular Weight 592.963 g/mol
SMILES C123[C@]4(C(OC(=S)SC)CC3(CC([C@@]1(C(OC(=S)SC)C4)[H])OC(=S)SC)CCCCCCCCCC2)[H]
SPLASH splash10-014i-0090200000-bee0022565da7b6ccaba
Source of Spectrum J-57-5127-21
Synonyms (methylsulfanyl)({tetracyclo[11.5.2.0(1,12).0(12,16)]icosaneoxy})methanethione
Wiley ID 1409460