Molecule Identification Common Name [(3,12b-dihydroxy-4,4,6b,8a,11,11,14b-heptamethyl-14-oxo-docosahydropicen-6a-yl)methoxy]sulfonic acid Definition [(3,12b-dihydroxy-4,4,6b,8a,11,11,14b-heptamethyl-14-oxo-docosahydropicen-6a-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 [(3,12b-dihydroxy-4,4,6b,8a,11,11,14b-heptamethyl-14-oxo-docosahydropicen-6a-yl)methoxy]sulfonic acid. Structure CC1(C)CCC2(C)CCC3(C)C(O)(CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34COS(O)(=O)=O)C2C1 InChI=1S/C30H50O7S/c1-24(2)12-13-26(5)14-15-28(7)29(18-37-38(34,35)36)11-8-20-25(3,4)22(32)9-10-27(20,6)23(29)19(31)16-30(28,33)21(26)17-24/h20-23,32-33H,8-18H2,1-7H3,(H,34,35,36) Synonyms Value Source [(3,12b-Dihydroxy-4,4,6b,8a,11,11,14b-heptamethyl-14-oxo-docosahydropicen-6a-yl)methoxy]sulfonate Generator [(3,12b-Dihydroxy-4,4,6b,8a,11,11,14b-heptamethyl-14-oxo-docosahydropicen-6a-yl)methoxy]sulphonate Generator [(3,12b-Dihydroxy-4,4,6b,8a,11,11,14b-heptamethyl-14-oxo-docosahydropicen-6a-yl)methoxy]sulphonic acid Generator
Chemical Formula C30 H50 O7 S Average Molecular Weight 554.78 Monoisotopic Molecular Weight 554.327725124 IUPAC Name [(3,12b-dihydroxy-4,4,6b,8a,11,11,14b-heptamethyl-14-oxo-docosahydropicen-6a-yl)methoxy]sulfonic acid Traditional Name (3,12b-dihydroxy-4,4,6b,8a,11,11,14b-heptamethyl-14-oxo-tetradecahydropicen-6a-yl)methoxysulfonic acid CAS Registry Number Not Available SMILES CC1(C)CCC2(C)CCC3(C)C(O)(CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34COS(O)(=O)=O)C2C1
InChI Identifier InChI=1S/C30H50O7S/c1-24(2)12-13-26(5)14-15-28(7)29(18-37-38(34,35)36)11-8-20-25(3,4)22(32)9-10-27(20,6)23(29)19(31)16-30(28,33)21(26)17-24/h20-23,32-33H,8-18H2,1-7H3,(H,34,35,36)
InChI Key AJYQAFVSGOUHAQ-UHFFFAOYSA-N 
