11-[4-(2-dimethylaminoethyloxy)phenyl]-17-(2-methoxyethanoyl)-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 11-[4-(2-dimethylaminoethyloxy)phenyl]-17-(2-methoxyethanoyl)-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 11-[4-(2-dimethylaminoethyloxy)phenyl]-17-hydroxy-17-(2-methoxyacetyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 11-[4-(2-dimethylaminoethyloxy)phenyl]-17-hydroxy-17-(2-methoxy-1-oxoethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 11-[4-(2-dimethylaminoethyloxy)phenyl]-17-hydroxy-17-(2-methoxyacetyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 11-[4-(2-dimethylaminoethyloxy)phenyl]-17-hydroxy-17-(2-methoxyacetyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C31H41NO5 MolecularWeight: 507.66094

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C(=O)COC)O)C5=CC=C(C=C5)OCCN(C)C

Isomeric SMILES

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C(=O)COC)O)C5=CC=C(C=C5)OCCN(C)C

InChI

InChI=1S/C31H41NO5/c1-30-18-26(20-5-9-23(10-6-20)37-16-15-32(2)3)29-24-12-8-22(33)17-21(24)7-11-25(29)27(30)13-14-31(30,35)28(34)19-36-4/h5-6,9-10,17,25-27,35H,7-8,11-16,18-19H2,1-4H3