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(4a.alpha.,5.beta.,8.beta.,8a.beta.)-5-(Methoxycarbonyl)-3,8a-dimethyl-8-[(p-tplylsulfonyl)oxy]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan
SpectraBase Compound ID 7ZjcFiFM2Eq
InChI InChI=1S/C23H28O6S/c1-14-5-7-16(8-6-14)30(25,26)29-21-10-9-17(22(24)27-4)19-11-18-15(2)13-28-20(18)12-23(19,21)3/h5-8,13,17,19,21H,9-12H2,1-4H3/t17-,19-,21+,23+/m0/s1
InChIKey XLUBYTYLZFQZSS-VARILPKDSA-N
Mol Weight 432.53 g/mol
Molecular Formula C23H28O6S
Exact Mass 432.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4fCBvhhDud
Name (4a.alpha.,5.beta.,8.beta.,8a.beta.)-5-(Methoxycarbonyl)-3,8a-dimethyl-8-[(p-tplylsulfonyl)oxy]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan
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Formula C23H28O6S
InChI InChI=1S/C23H28O6S/c1-14-5-7-16(8-6-14)30(25,26)29-21-10-9-17(22(24)27-4)19-11-18-15(2)13-28-20(18)12-23(19,21)3/h5-8,13,17,19,21H,9-12H2,1-4H3/t17-,19-,21+,23+/m0/s1
InChIKey XLUBYTYLZFQZSS-VARILPKDSA-N
Molecular Weight 432.531 g/mol
SMILES [C@@]1(OS(c2ccc(cc2)C)(=O)=O)([C@]2([C@](Cc3c(C2)occ3C)([H])[C@](CC1)(C(=O)OC)[H])C)[H]
SPLASH splash10-052f-9700100000-72ea6c87cc6460f3664d
Source of Spectrum J-50-4328-2
Synonyms Methyl (4aS,5S,8R,8aR)-3,8a-dimethyl-8-{[(4-methylphenyl)sulfonyl]oxy}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-5-carboxylate
Wiley ID 1382221