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(3aS,3bS,6aS,7aS)-3a,5,5,7a-Tetramethyl-3-(4-tolylsulfonyloxymethyl)decahydrocyclopenta[a]pentalene-3-yl methyl ester
SpectraBase Compound ID ANeLXli0WPk
InChI InChI=1S/C31H42O6S2/c1-22-7-11-25(12-8-22)38(32,33)36-20-31(21-37-39(34,35)26-13-9-23(2)10-14-26)16-15-29(5)18-24-17-28(3,4)19-27(24)30(29,31)6/h7-14,24,27H,15-21H2,1-6H3/t24-,27-,29-,30+/m0/s1
InChIKey RREQVPSBZADXTJ-WSOBSPQKSA-N
Mol Weight 574.8 g/mol
Molecular Formula C31H42O6S2
Exact Mass 574.242281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrfjvwK7OFf
Name (3aS,3bS,6aS,7aS)-3a,5,5,7a-Tetramethyl-3-(4-tolylsulfonyloxymethyl)decahydrocyclopenta[a]pentalene-3-yl methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C31H42O6S2
InChI InChI=1S/C31H42O6S2/c1-22-7-11-25(12-8-22)38(32,33)36-20-31(21-37-39(34,35)26-13-9-23(2)10-14-26)16-15-29(5)18-24-17-28(3,4)19-27(24)30(29,31)6/h7-14,24,27H,15-21H2,1-6H3/t24-,27-,29-,30+/m0/s1
InChIKey RREQVPSBZADXTJ-WSOBSPQKSA-N
Molecular Weight 574.791 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C1([C@]2([C@@](C[C@]3([C@@]2(CC(C)(C)C3)[H])[H])(C)CC1)C)COS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-03di-0900000000-0eca8392df24581bf20a
Source of Spectrum F-54-10717-13
Synonyms (3aSR,3bRS,6aSR,7aSR)-3a,5,5,7a-Tetramethyl-3-(4-tolylsulfonyloxymethyl)decahydrocyclopenta[a]pentalene-3-yl methyl ester [(3aR,3bS,6aS,7aS)-3a,5,5,7a-tetramethyl-3-({[(4-methylphenyl)sulfonyl]oxy}methyl)decahydro-1H-cyclopenta[a]pentalen-3-yl]methyl 4-methylbenzenesulfonate
Wiley ID 808690