[(6R,7R)-7-acetyloxy-11-methyl-17-oxidanylidene-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-6-yl] ethanoate

Systemtic Name: [(6R,7R)-7-acetyloxy-11-methyl-17-oxidanylidene-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-6-yl] ethanoate Openeye Name: [(6R,7R)-7-acetoxy-11-methyl-17-oxo-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-6-yl] acetate CAS Name: acetic acid [(6R,7R)-7-acetyloxy-11-methyl-17-oxo-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-6-yl] ester IUPAC Name: [(6R,7R)-7-acetyloxy-11-methyl-17-oxo-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-6-yl] acetate Traditional Name: acetic acid [(6R,7R)-7-acetoxy-17-keto-11-methyl-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-6-yl] ester Formula: C22H20O5 MolecularWeight: 364.3912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=CC=CC=C3C(C(C2=C4CCC(=O)C4=C1)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C2C3=CC=CC=C3[C@H]([C@@H](C2=C4CCC(=O)C4=C1)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H20O5/c1-11-10-17-15(8-9-18(17)25)20-19(11)14-6-4-5-7-16(14)21(26-12(2)23)22(20)27-13(3)24/h4-7,10,21-22H,8-9H2,1-3H3/t21-,22-/m1/s1