(3S,8S,9S,10R,13R,14S,17R)-3-[1-[1-[(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]-12-(3-iodanylphenyl)dodecoxy]-12-(3-iodanylphenyl)dodecyl]-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-[1-[1-[(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]-12-(3-iodanylphenyl)dodecoxy]-12-(3-iodanylphenyl)dodecyl]-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-[1-[1-[(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]-12-(3-iodophenyl)dodecoxy]-12-(3-iodophenyl)dodecyl]-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-[1-[1-[(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]-12-(3-iodophenyl)dodecoxy]-12-(3-iodophenyl)dodecyl]-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-[1-[1-[(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]-12-(3-iodophenyl)dodecoxy]-12-(3-iodophenyl)dodecyl]-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-[1-[1-[(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]-12-(3-iodophenyl)dodecoxy]-12-(3-iodophenyl)dodecyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene Formula: C90H144I2O MolecularWeight: 1495.9147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C(CCCCCCCCCCCC5=CC(=CC=C5)I)OC(CCCCCCCCCCCC6=CC(=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)C(CCCCCCCCCCCC5=CC(=CC=C5)I)OC(CCCCCCCCCCCC6=CC(=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/C90H144I2O/c1-65(2)33-29-35-67(5)79-49-51-81-77-47-45-73-63-71(53-57-87(73,7)83(77)55-59-89(79,81)9)85(43-27-23-19-15-11-13-17-21-25-37-69-39-31-41-75(91)61-69)93-86(44-28-24-20-16-12-14-18-22-26-38-70-40-32-42-76(92)62-70)72-54-58-88(8)74(64-72)46-48-78-82-52-50-80(68(6)36-30-34-66(3)4)90(82,10)60-56-84(78)88/h31-32,39-42,45-46,61-62,65-68,71-72,77-86H,11-30,33-38,43-44,47-60,63-64H2,1-10H3/t67-,68-,71+,72+,77+,78+,79-,80-,81+,82+,83+,84+,85?,86?,87+,88+,89-,90-/m1/s1