Molecule Identification Common Name [(2-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-1-yl)methoxy]sulfonic acid Definition [(2-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-1-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-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-1-yl)methoxy]sulfonic acid. Structure CC1(O)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1COS(O)(=O)=O InChI=1S/C30H50O6S/c1-25(2)21-10-13-29(6)22(27(21,4)12-11-23(25)31)9-8-19-24-20(18-36-37(33,34)35)30(7,32)17-15-26(24,3)14-16-28(19,29)5/h19-22,24,32H,8-18H2,1-7H3,(H,33,34,35) Synonyms Value Source [(2-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-1-yl)methoxy]sulfonate Generator [(2-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-1-yl)methoxy]sulphonate Generator [(2-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-1-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-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-docosahydropicen-1-yl)methoxy]sulfonic acid Traditional Name (2-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-tetradecahydro-1H-picen-1-yl)methoxysulfonic acid CAS Registry Number Not Available SMILES CC1(O)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1COS(O)(=O)=O
InChI Identifier InChI=1S/C30H50O6S/c1-25(2)21-10-13-29(6)22(27(21,4)12-11-23(25)31)9-8-19-24-20(18-36-37(33,34)35)30(7,32)17-15-26(24,3)14-16-28(19,29)5/h19-22,24,32H,8-18H2,1-7H3,(H,33,34,35)
InChI Key UXKSQVCNBGAECF-UHFFFAOYSA-N 
