Molecule Identification Common Name {[5-(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2,3-dihydroxy-3-methylpentyl]oxy}sulfonic acid Definition Based on a literature review very few articles have been published on {[5-(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2,3-dihydroxy-3-methylpentyl]oxy}sulfonic acid. Structure CC1=C(CCC(C)(O)C(O)COS(O)(=O)=O)C2(C)CCCC(C)(C)C2CC1 InChI=1S/C20H36O6S/c1-14-7-8-16-18(2,3)10-6-11-19(16,4)15(14)9-12-20(5,22)17(21)13-26-27(23,24)25/h16-17,21-22H,6-13H2,1-5H3,(H,23,24,25) Synonyms Value Source {[5-(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2,3-dihydroxy-3-methylpentyl]oxy}sulfonate Generator {[5-(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2,3-dihydroxy-3-methylpentyl]oxy}sulphonate Generator {[5-(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2,3-dihydroxy-3-methylpentyl]oxy}sulphonic acid Generator
Chemical Formula C20 H36 O6 S Average Molecular Weight 404.56 Monoisotopic Molecular Weight 404.223260053 IUPAC Name {[5-(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2,3-dihydroxy-3-methylpentyl]oxy}sulfonic acid Traditional Name [5-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-2,3-dihydroxy-3-methylpentyl]oxysulfonic acid CAS Registry Number Not Available SMILES CC1=C(CCC(C)(O)C(O)COS(O)(=O)=O)C2(C)CCCC(C)(C)C2CC1
InChI Identifier InChI=1S/C20H36O6S/c1-14-7-8-16-18(2,3)10-6-11-19(16,4)15(14)9-12-20(5,22)17(21)13-26-27(23,24)25/h16-17,21-22H,6-13H2,1-5H3,(H,23,24,25)
InChI Key LDKPLVLHRQMMPJ-UHFFFAOYSA-N 
