[4-[[(3,5-dimethylphenyl)methylamino]methyl]phenyl]methyl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanylidene)-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: [4-[[(3,5-dimethylphenyl)methylamino]methyl]phenyl]methyl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanylidene)-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: [4-[[(3,5-dimethylphenyl)methylamino]methyl]phenyl]methyl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid [4-[[(3,5-dimethylphenyl)methylamino]methyl]phenyl]methyl ester IUPAC Name: [4-[[(3,5-dimethylphenyl)methylamino]methyl]phenyl]methyl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-3,7,12-triketo-10,13-dimethyl-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]valeric acid [4-[[(3,5-dimethylbenzyl)amino]methyl]benzyl] ester Formula: C41H53NO5 MolecularWeight: 639.86322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNCC2=CC=C(C=C2)COC(=O)CCC(C)C3CCC4C3(C(=O)CC5C4C(=O)CC6C5(CCC(=O)C6)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNCC2=CC=C(C=C2)COC(=O)CC[C@@H](C)[C@H]3CC[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4C(=O)C[C@@H]6[C@@]5(CCC(=O)C6)C)C)C

InChI

InChI=1S/C41H53NO5/c1-25-16-26(2)18-30(17-25)23-42-22-28-7-9-29(10-8-28)24-47-38(46)13-6-27(3)33-11-12-34-39-35(21-37(45)41(33,34)5)40(4)15-14-32(43)19-31(40)20-36(39)44/h7-10,16-18,27,31,33-35,39,42H,6,11-15,19-24H2,1-5H3/t27-,31-,33-,34+,35+,39+,40+,41-/m1/s1