[(8R,9S,13S,14S,15R)-13-methyl-15-(4-morpholin-4-yl-4-oxidanylidene-butyl)-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Systemtic Name: [(8R,9S,13S,14S,15R)-13-methyl-15-(4-morpholin-4-yl-4-oxidanylidene-butyl)-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate Openeye Name: [(8R,9S,13S,14S,15R)-13-methyl-15-(4-morpholino-4-oxo-butyl)-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate CAS Name: sulfuric acid [(8R,9S,13S,14S,15R)-13-methyl-15-[4-(4-morpholinyl)-4-oxobutyl]-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8R,9S,13S,14S,15R)-13-methyl-15-(4-morpholin-4-yl-4-oxobutyl)-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [(8R,9S,13S,14S,15R)-17-keto-15-(4-keto-4-morpholino-butyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C26H35NO7S MolecularWeight: 505.6236

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1C(CC2=O)CCCC(=O)N4CCOCC4)CCC5=C3C=CC(=C5)OS(=O)(=O)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H](CC2=O)CCCC(=O)N4CCOCC4)CCC5=C3C=CC(=C5)OS(=O)(=O)O

InChI

InChI=1S/C26H35NO7S/c1-26-10-9-21-20-8-6-19(34-35(30,31)32)15-17(20)5-7-22(21)25(26)18(16-23(26)28)3-2-4-24(29)27-11-13-33-14-12-27/h6,8,15,18,21-22,25H,2-5,7,9-14,16H2,1H3,(H,30,31,32)/t18-,21-,22-,25+,26-/m1/s1