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(-)-(1R,2R,4R,6R)-1,2-Cyclohexylidenedioxy-4-benzyl-6-(4'-methylphenylsulfonyloxy)cyclohexane
SpectraBase Compound ID 7nAkkS0NAGN
InChI InChI=1S/C26H32O6S/c1-19-10-12-22(13-11-19)33(27,28)32-24-17-21(29-18-20-8-4-2-5-9-20)16-23-25(24)31-26(30-23)14-6-3-7-15-26/h2,4-5,8-13,21,23-25H,3,6-7,14-18H2,1H3/t21-,23-,24+,25-/m0/s1
InChIKey DOWZHPBRMOBVNT-CGBRIMPHSA-N
Mol Weight 472.6 g/mol
Molecular Formula C26H32O6S
Exact Mass 472.19196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyUOThZ2UrF
Name (-)-(1R,2R,4R,6R)-1,2-Cyclohexylidenedioxy-4-benzyl-6-(4'-methylphenylsulfonyloxy)cyclohexane
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Formula C26H32O6S
InChI InChI=1S/C26H32O6S/c1-19-10-12-22(13-11-19)33(27,28)32-24-17-21(29-18-20-8-4-2-5-9-20)16-23-25(24)31-26(30-23)14-6-3-7-15-26/h2,4-5,8-13,21,23-25H,3,6-7,14-18H2,1H3/t21-,23-,24+,25-/m0/s1
InChIKey DOWZHPBRMOBVNT-CGBRIMPHSA-N
Molecular Weight 472.596 g/mol
SMILES [C@@]1(OS(c2ccc(cc2)C)(=O)=O)([C@@]2([C@@](OC3(O2)CCCCC3)(C[C@@](C1)(OCc1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0006-9000300000-2cb0764f21852e0fa4cd
Source of Spectrum KC-0-949-13
Synonyms (3aR,4R,6R,7aS)-4-benzyloxy-6-(4'-methylphenylsulfonyloxy)-hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]
Wiley ID 830352