methyl 3-chloranyl-5-[1-[3-chloranyl-5-methoxycarbonyl-4-[[4-(4-methoxycarbonylphenyl)phenyl]methoxy]phenyl]-4-[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-[[4-(4-methoxycarbonylphenyl)phenyl]methoxy]benzoate

Systemtic Name: methyl 3-chloranyl-5-[1-[3-chloranyl-5-methoxycarbonyl-4-[[4-(4-methoxycarbonylphenyl)phenyl]methoxy]phenyl]-4-[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-[[4-(4-methoxycarbonylphenyl)phenyl]methoxy]benzoate Openeye Name: methyl 3-chloro-5-[1-[3-chloro-5-methoxycarbonyl-4-[[4-(4-methoxycarbonylphenyl)phenyl]methoxy]phenyl]-4-[(3S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-[[4-(4-methoxycarbonylphenyl)phenyl]methoxy]benzoate CAS Name: 3-chloro-5-[1-[3-chloro-5-methoxycarbonyl-4-[[4-(4-methoxycarbonylphenyl)phenyl]methoxy]phenyl]-4-[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-[[4-(4-methoxycarbonylphenyl)phenyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 3-chloro-5-[1-[3-chloro-5-methoxycarbonyl-4-[[4-(4-methoxycarbonylphenyl)phenyl]methoxy]phenyl]-4-[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-[[4-(4-methoxycarbonylphenyl)phenyl]methoxy]benzoate Traditional Name: 5-[1-[3-carbomethoxy-4-[4-(4-carbomethoxyphenyl)benzyl]oxy-5-chloro-phenyl]-4-[(3S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-[4-(4-carbomethoxyphenyl)benzyl]oxy-3-chloro-benzoic acid methyl ester Formula: C77H88Cl2O10 MolecularWeight: 1244.42262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)OCC6=CC=C(C=C6)C7=CC=C(C=C7)C(=O)OC)C(=O)OC)C8=CC(=C(C(=C8)Cl)OCC9=CC=C(C=C9)C1=CC=C(C=C1)C(=O)OC)C(=O)OC)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)CCC=C(C5=CC(=C(C(=C5)Cl)OCC6=CC=C(C=C6)C7=CC=C(C=C7)C(=O)OC)C(=O)OC)C8=CC(=C(C(=C8)Cl)OCC9=CC=C(C=C9)C1=CC=C(C=C1)C(=O)OC)C(=O)OC)C)C

InChI

InChI=1S/C77H88Cl2O10/c1-47(2)12-10-13-48(3)65-34-35-66-62-33-32-60-40-49(36-38-76(60,4)67(62)37-39-77(65,66)5)14-11-15-61(58-41-63(74(82)86-8)70(68(78)43-58)88-45-50-16-20-52(21-17-50)54-24-28-56(29-25-54)72(80)84-6)59-42-64(75(83)87-9)71(69(79)44-59)89-46-51-18-22-53(23-19-51)55-26-30-57(31-27-55)73(81)85-7/h15-31,41-44,47-49,60,62,65-67H,10-14,32-40,45-46H2,1-9H3/t48-,49+,60?,62+,65-,66+,67+,76+,77-/m1/s1