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rac-(2R*)-2-{(5S*,7aR*)-[5-Hydroxy-7a-methyl-4-(phenylthio)-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl]}-6-methylhept-6-enyl toluene-4-sulfonate
SpectraBase Compound ID Iru3eupoDTg
InChI InChI=1S/C31H40O4S2/c1-22(2)9-8-10-24(21-35-37(33,34)26-15-13-23(3)14-16-26)27-17-18-28-30(29(32)19-20-31(27,28)4)36-25-11-6-5-7-12-25/h5-7,11-16,24,27,29,32H,1,8-10,17-21H2,2-4H3/t24-,27?,29-,31+/m0/s1
InChIKey NJRHGTDWIRUMAA-KKLBQJAISA-N
Mol Weight 540.8 g/mol
Molecular Formula C31H40O4S2
Exact Mass 540.236802 g/mol
Enantiomer InChIKey NJRHGTDWIRUMAA-IYEQEXJKSA-N
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Source of Spectrum U1-2002-2734-28
  • 4-Methylbenzenesulfonic acid [(2R)-2-[(5S,7aR)-5-hydroxy-7a-methyl-4-(phenylthio)-1,2,3,5,6,7-hexahydroinden-1-yl]-6-methylhept-6-enyl] ester
  • [(2R)-2-[(5S,7aR)-5-hydroxy-7a-methyl-4-phenylsulfanyl-1,2,3,5,6,7-hexahydroinden-1-yl]-6-methyl-hept-6-enyl] 4-methylbenzenesulfonate
  • [(2R)-2-[(5S,7aR)-7a-methyl-5-oxidanyl-4-phenylsulfanyl-1,2,3,5,6,7-hexahydroinden-1-yl]-6-methyl-hept-6-enyl] 4-methylbenzenesulfonate
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