2,2-bis[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]docosa-10,12-diynedioate

Systemtic Name: 2,2-bis[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]docosa-10,12-diynedioate Openeye Name: 2,2-bis[17-(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]docosa-10,12-diynedioate CAS Name: 2,2-bis[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]docosa-10,12-diynedioate IUPAC Name: 2,2-bis[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]docosa-10,12-diynedioate Traditional Name: 2,2-bis[17-(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]docosa-10,12-diynedioate Formula: C76H120O4-2 MolecularWeight: 1097.7636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C(CCCCCCCC#CC#CCCCCCCCCC(=O)[O-])(C5CCC6(C7CCC8(C(C7CC=C6C5)CCC8C(C)CCCC(C)C)C)C)C(=O)[O-])C)C

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C(CCCCCCCC#CC#CCCCCCCCCC(=O)[O-])(C5CCC6(C7CCC8(C(C7CC=C6C5)CCC8C(C)CCCC(C)C)C)C)C(=O)[O-])C)C

InChI

InChI=1S/C76H122O4/c1-54(2)30-28-32-56(5)64-39-41-66-62-37-35-58-52-60(43-48-72(58,7)68(62)45-50-74(64,66)9)76(71(79)80,47-27-25-23-21-19-17-15-13-11-12-14-16-18-20-22-24-26-34-70(77)78)61-44-49-73(8)59(53-61)36-38-63-67-42-40-65(57(6)33-29-31-55(3)4)75(67,10)51-46-69(63)73/h35-36,54-57,60-69H,14,16-34,37-53H2,1-10H3,(H,77,78)(H,79,80)/p-2