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(3a.alpha.,5a.alpha.,6.alpha.,8a.beta.,8b.alpha.)-3,3a,4,5,5a,6,8a,8b-octahydro-6-methyl-5-oxo-1H-cyclopenta[de]-2-benzothiopyrane-3,3-di(methoxycarbonyl)

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(3a.alpha.,5a.alpha.,6.alpha.,8a.beta.,8b.alpha.)-3,3a,4,5,5a,6,8a,8b-octahydro-6-methyl-5-oxo-1H-cyclopenta[de]-2-benzothiopyrane-3,3-di(methoxycarbonyl)
SpectraBase Compound ID LVg51a5uwQs
InChI InChI=1S/C16H20O5S/c1-8-4-5-11-13-9(6-10(17)12(8)13)16(7-22-11,14(18)20-2)15(19)21-3/h4-5,8-9,11-13H,6-7H2,1-3H3/t8-,9+,11+,12-,13-/m1/s1
InChIKey MTFSVGLTGMEQSD-FWEIOOQHSA-N
Mol Weight 324.39 g/mol
Molecular Formula C16H20O5S
Exact Mass 324.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98GlT0jtZI5
Name (3a.alpha.,5a.alpha.,6.alpha.,8a.beta.,8b.alpha.)-3,3a,4,5,5a,6,8a,8b-octahydro-6-methyl-5-oxo-1H-cyclopenta[de]-2-benzothiopyrane-3,3-di(methoxycarbonyl)
CAS Registry Number 110027-82-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O5S
InChI InChI=1S/C16H20O5S/c1-8-4-5-11-13-9(6-10(17)12(8)13)16(7-22-11,14(18)20-2)15(19)21-3/h4-5,8-9,11-13H,6-7H2,1-3H3/t8-,9+,11+,12-,13-/m1/s1
InChIKey MTFSVGLTGMEQSD-FWEIOOQHSA-N
Molecular Weight 324.391 g/mol
SMILES C1([C@@]2([C@]3([C@@]([C@](C)(C=C[C@@]3(SC1)[H])[H])([H])C(C2)=O)[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0abc-4955000000-e021d16694bab0134f2b
Source of Spectrum K-120-2012-12
Synonyms Dimethyl (3aS,5aS,6R,8aS,8bS)-6-methyl-5-oxo-4,5,5a,6,8a,8b-hexahydro-2H-indeno[7,1-bc]thiopyran-3,3(3aH)-dicarboxylate
Wiley ID 1323012