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(1a.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.beta,7b.alpha.)-Decahydro-1,1,3a,7-tetramethyl-1H-cyclopropa[a]naphthalen-4,7-diol 4-(4-Methylbenzenesulfonate)
SpectraBase Compound ID EKIEMa8ifZd
InChI InChI=1S/C22H32O4S/c1-14-6-8-15(9-7-14)27(24,25)26-17-11-13-22(5,23)19-18-16(20(18,2)3)10-12-21(17,19)4/h6-9,16-19,23H,10-13H2,1-5H3/t16-,17+,18-,19+,21-,22-/m1/s1
InChIKey SUUKNUGPZHVQSA-WEUXUUONSA-N
Mol Weight 392.6 g/mol
Molecular Formula C22H32O4S
Exact Mass 392.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CNhoWXtDoV
Name (1a.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.beta,7b.alpha.)-Decahydro-1,1,3a,7-tetramethyl-1H-cyclopropa[a]naphthalen-4,7-diol 4-(4-Methylbenzenesulfonate)
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Formula C22H32O4S
InChI InChI=1S/C22H32O4S/c1-14-6-8-15(9-7-14)27(24,25)26-17-11-13-22(5,23)19-18-16(20(18,2)3)10-12-21(17,19)4/h6-9,16-19,23H,10-13H2,1-5H3/t16-,17+,18-,19+,21-,22-/m1/s1
InChIKey SUUKNUGPZHVQSA-WEUXUUONSA-N
Molecular Weight 392.554 g/mol
SMILES O[C@]1([C@]2([C@@]3(C(C)(C)[C@@]3(CC[C@@]2([C@@](OS(c2ccc(cc2)C)(=O)=O)(CC1)[H])C)[H])[H])[H])C
SPLASH splash10-00di-4791000000-fa3a594cd49a198354da
Source of Spectrum J-56-6590-4
Synonyms (1aR,3aS,4S,7R,7aS,7bR)-7-hydroxy-1,1,3a,7-tetramethyldecahydro-1H-cyclopropa[a]naphthalen-4-yl 4-methylbenzenesulfonate
Wiley ID 1365836