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Cyclopenta[c]pyran-4-carboxylic acid, 6-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-1-methoxy-7-[[[(4-methylphenyl) sulfonyl]oxy]methyl]-, methyl ester, (1.alpha.,4a.alpha.,6.beta.,7.alpha.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID FFRFR8JqHgl
InChI InChI=1S/C21H26O9S/c1-12-5-7-14(8-6-12)31(24,25)29-11-17-18(30-13(2)22)9-15-16(20(23)26-3)10-28-21(27-4)19(15)17/h5-8,10,15,17-19,21H,9,11H2,1-4H3/t15-,17+,18-,19-,21-/m1/s1
InChIKey POEJNDRZEPNUEC-OLWFFGNSSA-N
Mol Weight 454.49 g/mol
Molecular Formula C21H26O9S
Exact Mass 454.129754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BN8pnvpgqL
Name Cyclopenta[c]pyran-4-carboxylic acid, 6-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-1-methoxy-7-[[[(4-methylphenyl) sulfonyl]oxy]methyl]-, methyl ester, (1.alpha.,4a.alpha.,6.beta.,7.alpha.,7a.alpha.)-(.+-.)-
CAS Registry Number 61585-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O9S
InChI InChI=1S/C21H26O9S/c1-12-5-7-14(8-6-12)31(24,25)29-11-17-18(30-13(2)22)9-15-16(20(23)26-3)10-28-21(27-4)19(15)17/h5-8,10,15,17-19,21H,9,11H2,1-4H3/t15-,17+,18-,19-,21-/m1/s1
InChIKey POEJNDRZEPNUEC-OLWFFGNSSA-N
Molecular Weight 454.490 g/mol
SMILES C=1([C@@]2([C@@]([C@@](COS(c3ccc(cc3)C)(=O)=O)([C@@](C2)(OC(=O)C)[H])[H])([H])[C@@](OC1)(OC)[H])[H])C(=O)OC
SPLASH splash10-0006-0902000000-89a597ba1987fe75e37c
Source of Spectrum K-109-3636-0
Synonyms Methyl (+,-)-6.beta.-aco-1.alpha.-meo-7.alpha.-(p-tolylsulfonyloxymethyl)-1,4a.alpha.,5,6,7,7a.alpha.-hexahydrocyclopenta(c)pyran-4-carboxylate Methyl (1R,4aS,6R,7S,7aR)-6-(acetyloxy)-1-methoxy-7-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Wiley ID 1388692