Molecule Identification Common Name 4-[(1S,2S,7R,10S,11S)-2-methyl-5,16-bis(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid Definition 4-[(1S,2S,7R,10S,11S)-2-methyl-5,16-bis(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. Based on a literature review very few articles have been published on 4-[(1S,2S,7R,10S,11S)-2-methyl-5,16-bis(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid. Structure [H]C(C)(CCC(O)=O)C1([H])CC[C@]2([H])C1([H])C([H])(C[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC([H])(CC[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O InChI=1S/C23H38O10S2/c1-13(3-8-21(24)25)16-6-7-18-17-5-4-14-11-15(32-34(26,27)28)9-10-23(14,2)19(17)12-20(22(16)18)33-35(29,30)31/h13-20,22H,3-12H2,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/t13?,14-,15?,16?,17+,18+,19+,20?,22?,23+/m1/s1 Synonyms Value Source 4-[(1S,2S,7R,10S,11S)-2-Methyl-5,16-bis(sulfooxy)tetracyclo[8.7.0.0,.0,]heptadecan-14-yl]pentanoate Generator 4-[(1S,2S,7R,10S,11S)-2-Methyl-5,16-bis(sulphooxy)tetracyclo[8.7.0.0,.0,]heptadecan-14-yl]pentanoate Generator 4-[(1S,2S,7R,10S,11S)-2-Methyl-5,16-bis(sulphooxy)tetracyclo[8.7.0.0,.0,]heptadecan-14-yl]pentanoic acid Generator 4-[(1S,2S,7R,10S,11S)-2-Methyl-5,16-bis(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoate Generator 4-[(1S,2S,7R,10S,11S)-2-Methyl-5,16-bis(sulphooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoate Generator 4-[(1S,2S,7R,10S,11S)-2-Methyl-5,16-bis(sulphooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid Generator
Chemical Formula C23 H38 O10 S2 Average Molecular Weight 538.67 Monoisotopic Molecular Weight 538.190639772 IUPAC Name 4-[(1S,2S,7R,10S,11S)-2-methyl-5,16-bis(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid Traditional Name 4-[(1S,2S,7R,10S,11S)-2-methyl-5,16-bis(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid CAS Registry Number Not Available SMILES [H]C(C)(CCC(O)=O)C1([H])CC[C@]2([H])C1([H])C([H])(C[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC([H])(CC[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O
InChI Identifier InChI=1S/C23H38O10S2/c1-13(3-8-21(24)25)16-6-7-18-17-5-4-14-11-15(32-34(26,27)28)9-10-23(14,2)19(17)12-20(22(16)18)33-35(29,30)31/h13-20,22H,3-12H2,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/t13?,14-,15?,16?,17+,18+,19+,20?,22?,23+/m1/s1
InChI Key KJAUCRFUHAXDFO-BYXKDTKVSA-N 
