NCI60_013766

Molecular Formula: C₇₈H₁₁₂O₆Ti^-4

InChI: InChI=1/2C29H47O.2C10H9O2.Ti/c2*1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6;2*1-8(11)7-10(12)9-5-3-2-4-6-9;/h2*8-10,19-21,23-27H,7,11-18H2,1-6H3;2*2-7H,1H3;/q4*-1;/t2*20u,21-,23+,24+,25-,26u,27u,28+,29-;;;/m11.../s1

InChIKey: InChIKey=OCPVGOUYOGDPLM-SKHMHVISBS
SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C)C(C)C.CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C)C(C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti]

Names:
    NCI60_013766
    (3S,8S,10R,13S,17R)-17-[(5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-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

Registries:
    PubChem CID 6711777
    PubChem ID 11418134