Molecule Identification Common Name ({6-hydroxy-5,5,9-trimethyl-7,12-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-13-yl}methoxy)sulfonic acid Definition Based on a literature review very few articles have been published on ({6-hydroxy-5,5,9-trimethyl-7,12-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-13-yl}methoxy)sulfonic acid. Structure CC1(C)C(O)C(=O)CC2(C)C3CC(=O)C4(COS(O)(=O)=O)CC3(CCC12)C=C4 InChI=1S/C20H28O7S/c1-17(2)13-4-5-19-6-7-20(10-19,11-27-28(24,25)26)15(22)8-14(19)18(13,3)9-12(21)16(17)23/h6-7,13-14,16,23H,4-5,8-11H2,1-3H3,(H,24,25,26) Synonyms Value Source ({6-hydroxy-5,5,9-trimethyl-7,12-dioxotetracyclo[11.2.1.0,.0,]hexadec-14-en-13-yl}methoxy)sulfonate Generator ({6-hydroxy-5,5,9-trimethyl-7,12-dioxotetracyclo[11.2.1.0,.0,]hexadec-14-en-13-yl}methoxy)sulphonate Generator ({6-hydroxy-5,5,9-trimethyl-7,12-dioxotetracyclo[11.2.1.0,.0,]hexadec-14-en-13-yl}methoxy)sulphonic acid Generator ({6-hydroxy-5,5,9-trimethyl-7,12-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-13-yl}methoxy)sulfonate Generator ({6-hydroxy-5,5,9-trimethyl-7,12-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-13-yl}methoxy)sulphonate Generator ({6-hydroxy-5,5,9-trimethyl-7,12-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-13-yl}methoxy)sulphonic acid Generator
Chemical Formula C20 H28 O7 S Average Molecular Weight 412.5 Monoisotopic Molecular Weight 412.155574416 IUPAC Name ({6-hydroxy-5,5,9-trimethyl-7,12-dioxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-en-13-yl}methoxy)sulfonic acid Traditional Name {6-hydroxy-5,5,9-trimethyl-7,12-dioxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-en-13-yl}methoxysulfonic acid CAS Registry Number Not Available SMILES CC1(C)C(O)C(=O)CC2(C)C3CC(=O)C4(COS(O)(=O)=O)CC3(CCC12)C=C4
InChI Identifier InChI=1S/C20H28O7S/c1-17(2)13-4-5-19-6-7-20(10-19,11-27-28(24,25)26)15(22)8-14(19)18(13,3)9-12(21)16(17)23/h6-7,13-14,16,23H,4-5,8-11H2,1-3H3,(H,24,25,26)
InChI Key BYPIBJLDXCRTAJ-UHFFFAOYSA-N 
