(5S,8R,9S,10S,13R,14S,17R)-3-(4-fluorophenyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Systemtic Name: (5S,8R,9S,10S,13R,14S,17R)-3-(4-fluorophenyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene Openeye Name: (5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-(4-fluorophenyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene CAS Name: (5S,8R,9S,10S,13R,14S,17R)-3-(4-fluorophenyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene IUPAC Name: (5S,8R,9S,10S,13R,14S,17R)-3-(4-fluorophenyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene Traditional Name: (5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-(4-fluorophenyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene Formula: C33H49F MolecularWeight: 464.740563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC=C(C4)C5=CC=C(C=C5)F)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC=C(C4)C5=CC=C(C=C5)F)C)C

InChI

InChI=1S/C33H49F/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-11-26-21-25(24-9-12-27(34)13-10-24)17-19-32(26,4)31(28)18-20-33(29,30)5/h9-10,12-13,17,22-23,26,28-31H,6-8,11,14-16,18-21H2,1-5H3/t23-,26+,28+,29-,30+,31+,32+,33-/m1/s1