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1-Naphthalenecarboxylic acid, decahydro-4a-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]-6-oxo-, methyl ester, (1.alpha.,4.alpha.,4a.alpha.,8a.beta.)-
SpectraBase Compound ID LrfyZWekI2k
InChI InChI=1S/C20H26O6S/c1-13-4-7-15(8-5-13)27(23,24)26-18-11-9-16(19(22)25-3)17-10-6-14(21)12-20(17,18)2/h4-5,7-8,16-18H,6,9-12H2,1-3H3/t16-,17-,18-,20+/m0/s1
InChIKey MEZGIZIXEOQXFZ-CGBFIWBNSA-N
Mol Weight 394.48 g/mol
Molecular Formula C20H26O6S
Exact Mass 394.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaRyIxVfmDE
Name 1-Naphthalenecarboxylic acid, decahydro-4a-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]-6-oxo-, methyl ester, (1.alpha.,4.alpha.,4a.alpha.,8a.beta.)-
CAS Registry Number 98466-43-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O6S
InChI InChI=1S/C20H26O6S/c1-13-4-7-15(8-5-13)27(23,24)26-18-11-9-16(19(22)25-3)17-10-6-14(21)12-20(17,18)2/h4-5,7-8,16-18H,6,9-12H2,1-3H3/t16-,17-,18-,20+/m0/s1
InChIKey MEZGIZIXEOQXFZ-CGBFIWBNSA-N
Molecular Weight 394.482 g/mol
SMILES [C@]1(OS(c2ccc(cc2)C)(=O)=O)([C@]2([C@](CCC(C2)=O)([H])[C@](CC1)(C(=O)OC)[H])C)[H]
SPLASH splash10-00di-0090000000-dcb6acd105d10b4361ae
Source of Spectrum J-50-4328-3
Synonyms Methyl (1S,4S,4aR,8aS)-4a-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}-6-oxodecahydro-1-naphthalenecarboxylate Methyl(1.beta.,4.beta.,4a.beta.,8a.alpha.)-methyl-6-oxo-4-[(p-tolylsulfonyl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydro-1-naphthoate
Wiley ID 1366564