6,9-bis(fluoranyl)-10,13,16-trimethyl-17-(2-methylfuran-3-yl)carbonyloxy-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid

Systemtic Name: 6,9-bis(fluoranyl)-10,13,16-trimethyl-17-(2-methylfuran-3-yl)carbonyloxy-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Openeye Name: 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-(2-methylfuran-3-carbonyl)oxy-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid CAS Name: 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-[(2-methyl-3-furanyl)-oxomethoxy]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid IUPAC Name: 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-(2-methylfuran-3-carbonyl)oxy-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Traditional Name: 6,9-difluoro-11-hydroxy-3-keto-10,13,16-trimethyl-17-(2-methyl-3-furoyl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Formula: C27H30F2O6S MolecularWeight: 520.585306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)S)OC(=O)C5=C(OC=C5)C)C)O)F)C)F

Isomeric SMILES

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)S)OC(=O)C5=C(OC=C5)C)C)O)F)C)F

InChI

InChI=1S/C27H30F2O6S/c1-13-9-17-18-11-20(28)19-10-15(30)5-7-24(19,3)26(18,29)21(31)12-25(17,4)27(13,23(33)36)35-22(32)16-6-8-34-14(16)2/h5-8,10,13,17-18,20-21,31H,9,11-12H2,1-4H3,(H,33,36)