[4-(6',13'-dimethyl-5'-oxidanyl-17'-oxidanylidene-spiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-11'-yl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(6',13'-dimethyl-5'-oxidanyl-17'-oxidanylidene-spiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-11'-yl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(5'-hydroxy-6',13'-dimethyl-17'-oxo-spiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-11'-yl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(5'-hydroxy-6',13'-dimethyl-17'-oxo-11'-spiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]yl)phenyl] ester IUPAC Name: [4-(5'-hydroxy-6',13'-dimethyl-17'-oxospiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-11'-yl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(5'-hydroxy-17'-keto-6',13'-dimethyl-spiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-11'-yl)phenyl] ester Formula: C28H35F3O7S MolecularWeight: 572.63351

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC(=O)C3(CC(C2C4C1(CC5(CC4)OCCO5)O)C6=CC=C(C=C6)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1CC2C3CCC(=O)C3(CC(C2C4C1(CC5(CC4)OCCO5)O)C6=CC=C(C=C6)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C28H35F3O7S/c1-16-13-19-21-7-8-23(32)25(21,2)14-20(17-3-5-18(6-4-17)38-39(34,35)28(29,30)31)24(19)22-9-10-26(15-27(16,22)33)36-11-12-37-26/h3-6,16,19-22,24,33H,7-15H2,1-2H3