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

Systemtic Name: (3S,8S,9S,10R,13R,14S,17R)-3-[2-[[2-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-iodanyl-phenyl]methoxymethyl]-6-iodanyl-phenyl]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene Openeye Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-[2-[[2-[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-iodo-phenyl]methoxymethyl]-6-iodo-phenyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene CAS Name: (3S,8S,9S,10R,13R,14S,17R)-3-[2-[[2-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-iodophenyl]methoxymethyl]-6-iodophenyl]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-3-[2-[[2-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-iodophenyl]methoxymethyl]-6-iodophenyl]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene Traditional Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-[2-[[2-[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-iodo-benzyl]oxymethyl]-6-iodo-phenyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene Formula: C68H100I2O MolecularWeight: 1187.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C5=C(C=CC=C5I)COCC6=C(C(=CC=C6)I)C7CCC8(C9CCC1(C(C9CC=C8C7)CCC1C(C)CCCC(C)C)C)C)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=C4[C@@]3(CC[C@@H](C4)C5=C(C=CC=C5I)COCC6=C(C(=CC=C6)I)[C@H]7CC[C@@]8([C@H]9CC[C@]1([C@H]([C@@H]9CC=C8C7)CC[C@@H]1[C@H](C)CCCC(C)C)C)C)C)C

InChI

InChI=1S/C68H100I2O/c1-43(2)15-11-17-45(5)55-27-29-57-53-25-23-51-39-47(31-35-65(51,7)59(53)33-37-67(55,57)9)63-49(19-13-21-61(63)69)41-71-42-50-20-14-22-62(70)64(50)48-32-36-66(8)52(40-48)24-26-54-58-30-28-56(46(6)18-12-16-44(3)4)68(58,10)38-34-60(54)66/h13-14,19-24,43-48,53-60H,11-12,15-18,25-42H2,1-10H3/t45-,46-,47+,48+,53+,54+,55-,56-,57+,58+,59+,60+,65+,66+,67-,68-/m1/s1