Ligand

Cas#: 22161-81-5       

Formula:  C₆H₅COC₆H₄CH(CH₃)CO₂H        Molecular Weight: 254.28

IUPAC Name: (2S)-2-(3-benzoylphenyl)propanoic acid

SMILES: CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O

InChIKey: DKYWVDODHFEZIM-NSHDSACASA-N

InChI: InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1

Cas#: 22161-81-5       

Formula:  C₆H₅COC₆H₄CH(CH₃)CO₂H        Molecular Weight: 254.28

IUPAC Name: (2S)-2-(3-benzoylphenyl)propanoic acid

SMILES: CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O

InChIKey: DKYWVDODHFEZIM-NSHDSACASA-N

InChI: InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1

Cas#: 77-52-1        Compound CID:  64945

Formula:  C₃₀H₄₈O₃        Molecular Weight: 456.7

IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O

InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-N

InChI: InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1