methyl (10R,13S,14S)-13-methyl-14-oxidanyl-1,7,17-tris(oxidanylidene)-3,4,5,6,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthrene-10-carboxylate

Systemtic Name: methyl (10R,13S,14S)-13-methyl-14-oxidanyl-1,7,17-tris(oxidanylidene)-3,4,5,6,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthrene-10-carboxylate Openeye Name: methyl (10R,13S,14S)-14-hydroxy-13-methyl-1,7,17-trioxo-3,4,5,6,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthrene-10-carboxylate CAS Name: (10R,13S,14S)-14-hydroxy-13-methyl-1,7,17-trioxo-3,4,5,6,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthrene-10-carboxylic acid methyl ester IUPAC Name: methyl (10R,13S,14S)-14-hydroxy-13-methyl-1,7,17-trioxo-3,4,5,6,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthrene-10-carboxylate Traditional Name: (10R,13S,14S)-14-hydroxy-1,7,17-triketo-13-methyl-3,4,5,6,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthrene-10-carboxylic acid methyl ester Formula: C20H24O6 MolecularWeight: 360.40096

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C(C1(CCC2=O)O)C(=O)CC4C3(C(=O)CCC4)C(=O)OC

Isomeric SMILES

C[C@]12CCC3=C([C@@]1(CCC2=O)O)C(=O)CC4[C@@]3(C(=O)CCC4)C(=O)OC

InChI

InChI=1S/C20H24O6/c1-18-8-6-12-16(19(18,25)9-7-14(18)22)13(21)10-11-4-3-5-15(23)20(11,12)17(24)26-2/h11,25H,3-10H2,1-2H3/t11?,18-,19-,20-/m1/s1