Molecule Identification Common Name [(2-hydroxy-1,2,4a,6a,6b,9,9-heptamethyl-10-oxo-docosahydropicen-12a-yl)methoxy]sulfonic acid Definition [(2-hydroxy-1,2,4a,6a,6b,9,9-heptamethyl-10-oxo-docosahydropicen-12a-yl)methoxy]sulfonic acid belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review very few articles have been published on [(2-hydroxy-1,2,4a,6a,6b,9,9-heptamethyl-10-oxo-docosahydropicen-12a-yl)methoxy]sulfonic acid. Structure CC1C2C3CCC4C(C)(CCC5C(C)(C)C(=O)CCC45COS(O)(=O)=O)C3(C)CCC2(C)CCC1(C)O InChI=1S/C30H50O6S/c1-19-24-20-8-9-22-28(6,27(20,5)16-14-26(24,4)15-17-29(19,7)32)12-10-21-25(2,3)23(31)11-13-30(21,22)18-36-37(33,34)35/h19-22,24,32H,8-18H2,1-7H3,(H,33,34,35) Synonyms Value Source [(2-Hydroxy-1,2,4a,6a,6b,9,9-heptamethyl-10-oxo-docosahydropicen-12a-yl)methoxy]sulfonate Generator [(2-Hydroxy-1,2,4a,6a,6b,9,9-heptamethyl-10-oxo-docosahydropicen-12a-yl)methoxy]sulphonate Generator [(2-Hydroxy-1,2,4a,6a,6b,9,9-heptamethyl-10-oxo-docosahydropicen-12a-yl)methoxy]sulphonic acid Generator
Chemical Formula C30 H50 O6 S Average Molecular Weight 538.78 Monoisotopic Molecular Weight 538.332810504 IUPAC Name [(2-hydroxy-1,2,4a,6a,6b,9,9-heptamethyl-10-oxo-docosahydropicen-12a-yl)methoxy]sulfonic acid Traditional Name (2-hydroxy-1,2,4a,6a,6b,9,9-heptamethyl-10-oxo-tetradecahydro-1H-picen-12a-yl)methoxysulfonic acid CAS Registry Number Not Available SMILES CC1C2C3CCC4C(C)(CCC5C(C)(C)C(=O)CCC45COS(O)(=O)=O)C3(C)CCC2(C)CCC1(C)O
InChI Identifier InChI=1S/C30H50O6S/c1-19-24-20-8-9-22-28(6,27(20,5)16-14-26(24,4)15-17-29(19,7)32)12-10-21-25(2,3)23(31)11-13-30(21,22)18-36-37(33,34)35/h19-22,24,32H,8-18H2,1-7H3,(H,33,34,35)
InChI Key DQJCKFZWAFZJJR-UHFFFAOYSA-N 
