[2-[(17R)-11-acetyloxy-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[(17R)-11-acetyloxy-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(17R)-11-acetoxy-17-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(17R)-11-acetyloxy-17-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(17R)-11-acetyloxy-17-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(17R)-11-acetoxy-17-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C25H32O7 MolecularWeight: 444.51738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)OC(=O)C)C)O

Isomeric SMILES

CC(=O)OCC(=O)[C@]1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)OC(=O)C)C)O

InChI

InChI=1S/C25H32O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(28)7-9-23(16,3)22(18)20(32-15(2)27)12-24(19,25)4/h7,9,11,18-20,22,30H,5-6,8,10,12-13H2,1-4H3/t18?,19?,20?,22?,23?,24?,25-/m0/s1