(3S,8S,10R,13R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olate; 1-phenylbutane-1,3-dione; titanium

Systemtic Name: (3S,8S,10R,13R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olate; 1-phenylbutane-1,3-dione; titanium Openeye Name: (3S,8S,10R,13R)-17-[(1S)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olate; 1-phenylbutane-1,3-dione; titanium CAS Name: (3S,8S,10R,13R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olate; 1-phenylbutane-1,3-dione; titanium IUPAC Name: (3S,8S,10R,13R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olate; 1-phenylbutane-1,3-dione; titanium Traditional Name: (3S,8S,10R,13R)-17-[(1S)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olate; 1-phenylbutane-1,3-dione; titanium Formula: C74H108O6Ti-4 MolecularWeight: 1141.51272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti]

Isomeric SMILES

C[C@@H](CCCC(C)C)C1CCC2[C@@]1(CCC3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)[O-])C)C.C[C@@H](CCCC(C)C)C1CCC2[C@@]1(CCC3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)[O-])C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti]

InChI

InChI=1S/2C27H45O.2C10H9O2.Ti/c2*1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;2*1-8(11)7-10(12)9-5-3-2-4-6-9;/h2*9,18-19,21-25H,6-8,10-17H2,1-5H3;2*2-7H,1H3;/q4*-1;/t2*19-,21-,22-,23?,24?,25?,26-,27+;;;/m00.../s1