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

Systemtic Name: (8S,11R,13S,14S,17S)-11-[4-(2-dimethylaminoethyloxy)phenyl]-13-methyl-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8S,11R,13S,14S,17S)-11-[4-(2-dimethylaminoethyloxy)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (8S,11R,13S,14S,17S)-11-[4-(2-dimethylaminoethyloxy)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(2-dimethylaminoethyloxy)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8S,11R,13S,14S,17S)-11-[4-(2-dimethylaminoethyloxy)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C31H39NO3 MolecularWeight: 473.64626

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)OCCN(C)C)C)O

Isomeric SMILES

CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)OCCN(C)C)C)O

InChI

InChI=1S/C31H39NO3/c1-5-15-31(34)16-14-28-26-12-8-22-19-23(33)9-13-25(22)29(26)27(20-30(28,31)2)21-6-10-24(11-7-21)35-18-17-32(3)4/h6-7,10-11,19,26-28,34H,8-9,12-14,16-18,20H2,1-4H3/t26-,27+,28-,30-,31-/m0/s1