Molecule Identification Common Name [(2-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-2-yl)methoxy]sulfonic acid Definition [(2-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-2-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-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-2-yl)methoxy]sulfonic acid. Structure CC1C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1(O)COS(O)(=O)=O InChI=1S/C30H50O6S/c1-19-24-20-8-9-22-27(5)12-11-23(31)25(2,3)21(27)10-13-29(22,7)28(20,6)16-14-26(24,4)15-17-30(19,32)18-36-37(33,34)35/h19-22,24,32H,8-18H2,1-7H3,(H,33,34,35) Synonyms Value Source [(2-Hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-2-yl)methoxy]sulfonate Generator [(2-Hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-2-yl)methoxy]sulphonate Generator [(2-Hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-2-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-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-2-yl)methoxy]sulfonic acid Traditional Name (2-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-tetradecahydro-1H-picen-2-yl)methoxysulfonic acid CAS Registry Number Not Available SMILES CC1C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1(O)COS(O)(=O)=O
InChI Identifier InChI=1S/C30H50O6S/c1-19-24-20-8-9-22-27(5)12-11-23(31)25(2,3)21(27)10-13-29(22,7)28(20,6)16-14-26(24,4)15-17-30(19,32)18-36-37(33,34)35/h19-22,24,32H,8-18H2,1-7H3,(H,33,34,35)
InChI Key ADADMJIUYZNRJI-UHFFFAOYSA-N 
