Molecule Identification Common Name [(11-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-3-oxo-docosahydropicen-4-yl)methoxy]sulfonic acid Definition [(11-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-3-oxo-docosahydropicen-4-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 [(11-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-3-oxo-docosahydropicen-4-yl)methoxy]sulfonic acid. Structure CC1C2C3CCC4C5(C)CCC(=O)C(C)(COS(O)(=O)=O)C5CCC4(C)C3(C)CCC2(C)CCC1(C)O InChI=1S/C30H50O6S/c1-19-24-20-8-9-22-26(3)12-11-23(31)27(4,18-36-37(33,34)35)21(26)10-13-29(22,6)28(20,5)16-14-25(24,2)15-17-30(19,7)32/h19-22,24,32H,8-18H2,1-7H3,(H,33,34,35) Synonyms Value Source [(11-Hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-3-oxo-docosahydropicen-4-yl)methoxy]sulfonate Generator [(11-Hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-3-oxo-docosahydropicen-4-yl)methoxy]sulphonate Generator [(11-Hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-3-oxo-docosahydropicen-4-yl)methoxy]sulphonic acid Generator
Chemical Formula C30 H50 O6 S Average Molecular Weight 538.78 Monoisotopic Molecular Weight 538.332810504 IUPAC Name [(11-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-3-oxo-docosahydropicen-4-yl)methoxy]sulfonic acid Traditional Name (11-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-3-oxo-tetradecahydro-1H-picen-4-yl)methoxysulfonic acid CAS Registry Number Not Available SMILES CC1C2C3CCC4C5(C)CCC(=O)C(C)(COS(O)(=O)=O)C5CCC4(C)C3(C)CCC2(C)CCC1(C)O
InChI Identifier InChI=1S/C30H50O6S/c1-19-24-20-8-9-22-26(3)12-11-23(31)27(4,18-36-37(33,34)35)21(26)10-13-29(22,6)28(20,5)16-14-25(24,2)15-17-30(19,7)32/h19-22,24,32H,8-18H2,1-7H3,(H,33,34,35)
InChI Key MAXWOWUHFCNYHA-UHFFFAOYSA-N 
