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

Systemtic Name: [(6R,7R)-7-acetyloxy-17-oxidanylidene-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-6-yl] ethanoate Openeye Name: [(6R,7R)-7-acetoxy-17-oxo-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-6-yl] acetate CAS Name: acetic acid [(6R,7R)-7-acetyloxy-17-oxo-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-6-yl] ester IUPAC Name: [(6R,7R)-7-acetyloxy-17-oxo-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-6-yl] acetate Traditional Name: acetic acid [(6R,7R)-7-acetoxy-17-keto-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-6-yl] ester Formula: C21H18O5 MolecularWeight: 350.36462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC3=C2CCC3=O)C4=CC=CC=C14)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](C2=C(C=CC3=C2CCC3=O)C4=CC=CC=C14)OC(=O)C

InChI

InChI=1S/C21H18O5/c1-11(22)25-20-17-6-4-3-5-13(17)15-8-7-14-16(9-10-18(14)24)19(15)21(20)26-12(2)23/h3-8,20-21H,9-10H2,1-2H3/t20-,21-/m1/s1