actinium; 6-methyl-2-[4,8,10,14-tetramethyl-3,11,16-tris(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid

Systemtic Name: actinium; 6-methyl-2-[4,8,10,14-tetramethyl-3,11,16-tris(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid Openeye Name: actinium; 6-methyl-2-(3,11,16-trihydroxy-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)hept-5-enoic acid CAS Name: actinium; 6-methyl-2-(3,11,16-trihydroxy-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-5-heptenoic acid IUPAC Name: actinium; 6-methyl-2-(3,11,16-trihydroxy-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)hept-5-enoic acid Traditional Name: actinium; 6-methyl-2-(3,11,16-trihydroxy-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)hept-5-enoic acid Formula: C29H48AcO5 MolecularWeight: 703.716167

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4C(CCC=C(C)C)C(=O)O)O)C)O)C.[Ac]

Isomeric SMILES

CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4C(CCC=C(C)C)C(=O)O)O)C)O)C.[Ac]

InChI

InChI=1S/C29H48O5.Ac/c1-16(2)8-7-9-18(26(33)34)24-20-14-22(31)25-27(4)12-11-21(30)17(3)19(27)10-13-28(25,5)29(20,6)15-23(24)32;/h8,17-25,30-32H,7,9-15H2,1-6H3,(H,33,34);