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Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-1-methoxy-7-[[[(4-methylphenyl)sulf onyl]oxy]methyl]-, methyl ester, (1.alpha.,4a.alpha.,6.alpha.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID 6FbcoIJPuMG
InChI InChI=1S/C19H24O8S/c1-11-4-6-12(7-5-11)28(22,23)27-10-15-16(20)8-13-14(18(21)24-2)9-26-19(25-3)17(13)15/h4-7,9,13,15-17,19-20H,8,10H2,1-3H3/t13-,15+,16+,17+,19-/m1/s1
InChIKey BSUDIDFYYFKTGO-PJHRJCEYSA-N
Mol Weight 412.45 g/mol
Molecular Formula C19H24O8S
Exact Mass 412.119189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyFKwHYX9ot
Name Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-1-methoxy-7-[[[(4-methylphenyl)sulf onyl]oxy]methyl]-, methyl ester, (1.alpha.,4a.alpha.,6.alpha.,7a.alpha.)-(.+-.)-
CAS Registry Number 61557-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O8S
InChI InChI=1S/C19H24O8S/c1-11-4-6-12(7-5-11)28(22,23)27-10-15-16(20)8-13-14(18(21)24-2)9-26-19(25-3)17(13)15/h4-7,9,13,15-17,19-20H,8,10H2,1-3H3/t13-,15+,16+,17+,19-/m1/s1
InChIKey BSUDIDFYYFKTGO-PJHRJCEYSA-N
Molecular Weight 412.453 g/mol
SMILES O[C@]1(C[C@@]2(C(=CO[C@@](OC)([C@@]2([C@]1(COS(c1ccc(cc1)C)(=O)=O)[H])[H])[H])C(=O)OC)[H])[H]
SPLASH splash10-0089-9710000000-3ebbc4098ba83403ae55
Source of Spectrum K-109-3637-0
Synonyms Methyl (+,-)-6.alpha.-oh-1.alpha.-meo-7.alpha.-(p-tolylsulfonyloxymethyl)-1,4a.alpha.,5,6,7,7a.alpha.-hexahydrocyclopenta(c)pyran-4-carboxylate Methyl (1R,4aS,6S,7S,7aS)-6-hydroxy-1-methoxy-7-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Wiley ID 1374305