(4R)-4-[(10S,13R)-10,13-dimethyl-3,12-bis[4-[2,2,2-tris(fluoranyl)ethanoyl]phenoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dioctyl-pentanamide

Systemtic Name: (4R)-4-[(10S,13R)-10,13-dimethyl-3,12-bis[4-[2,2,2-tris(fluoranyl)ethanoyl]phenoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dioctyl-pentanamide Openeye Name: (4R)-4-[(10S,13R)-10,13-dimethyl-3,12-bis[4-(2,2,2-trifluoroacetyl)phenoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dioctyl-pentanamide CAS Name: (4R)-4-[(10S,13R)-10,13-dimethyl-3,12-bis[4-(2,2,2-trifluoro-1-oxoethyl)phenoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dioctylpentanamide IUPAC Name: (4R)-4-[(10S,13R)-10,13-dimethyl-3,12-bis[4-(2,2,2-trifluoroacetyl)phenoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dioctylpentanamide Traditional Name: (4R)-4-[(10S,13R)-10,13-dimethyl-3,12-bis[4-(2,2,2-trifluoroacetyl)phenoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dioctyl-valeramide Formula: C56H79F6NO5 MolecularWeight: 960.220579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(=O)CCC(C)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OC5=CC=C(C=C5)C(=O)C(F)(F)F)C)OC6=CC=C(C=C6)C(=O)C(F)(F)F)C

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(=O)CC[C@@H](C)C1CCC2[C@@]1(C(CC3C2CCC4[C@@]3(CCC(C4)OC5=CC=C(C=C5)C(=O)C(F)(F)F)C)OC6=CC=C(C=C6)C(=O)C(F)(F)F)C

InChI

InChI=1S/C56H79F6NO5/c1-6-8-10-12-14-16-34-63(35-17-15-13-11-9-7-2)50(64)31-18-38(3)46-29-30-47-45-28-23-41-36-44(67-42-24-19-39(20-25-42)51(65)55(57,58)59)32-33-53(41,4)48(45)37-49(54(46,47)5)68-43-26-21-40(22-27-43)52(66)56(60,61)62/h19-22,24-27,38,41,44-49H,6-18,23,28-37H2,1-5H3/t38-,41?,44?,45?,46?,47?,48?,49?,53+,54-/m1/s1