17-acetyloxy-3-methoxy-13-methyl-15-methylidene-11-oxidanyl-6,7,8,11,12,14,16,17-octahydrocyclopenta[a]phenanthren-9-olate

Systemtic Name: 17-acetyloxy-3-methoxy-13-methyl-15-methylidene-11-oxidanyl-6,7,8,11,12,14,16,17-octahydrocyclopenta[a]phenanthren-9-olate Openeye Name: 17-acetoxy-11-hydroxy-3-methoxy-13-methyl-15-methylene-6,7,8,11,12,14,16,17-octahydrocyclopenta[a]phenanthren-9-olate CAS Name: 17-acetyloxy-11-hydroxy-3-methoxy-13-methyl-15-methylene-6,7,8,11,12,14,16,17-octahydrocyclopenta[a]phenanthren-9-olate IUPAC Name: 17-acetyloxy-11-hydroxy-3-methoxy-13-methyl-15-methylidene-6,7,8,11,12,14,16,17-octahydrocyclopenta[a]phenanthren-9-olate Traditional Name: 17-acetoxy-11-hydroxy-3-methoxy-13-methyl-15-methylene-6,7,8,11,12,14,16,17-octahydrocyclopenta[a]phenanthren-9-olate Formula: C22H27O5- MolecularWeight: 371.44678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(=C)C2C1(CC(C3(C2CCC4=C3C=CC(=C4)OC)[O-])O)C

Isomeric SMILES

CC(=O)OC1CC(=C)C2C1(CC(C3(C2CCC4=C3C=CC(=C4)OC)[O-])O)C

InChI

InChI=1S/C22H27O5/c1-12-9-19(27-13(2)23)21(3)11-18(24)22(25)16-8-6-15(26-4)10-14(16)5-7-17(22)20(12)21/h6,8,10,17-20,24H,1,5,7,9,11H2,2-4H3/q-1