(E,3R,5S)-7-[(7S)-2-(4-Fluorophenyl)-7-[(4-Phenylphenyl)Methyl]-4,5,6,7-Tetrahydroindazol-3-Yl]-3,5-Dihydroxyhept-6-Enoic Acid
[CAS# 153321-50-7]

Identification

• Name: (E,3R,5S)-7-[(7S)-2-(4-Fluorophenyl)-7-[(4-Phenylphenyl)Methyl]-4,5,6,7-Tetrahydroindazol-3-Yl]-3,5-Dihydroxyhept-6-Enoic Acid
• Synonyms: (E,3R,5S)-7-[(7S)-2-(4-Fluorophenyl)-7-[(4-Phenylphenyl)Methyl]-4,5,6,7-Tetrahydroindazol-3-Yl]-3,5-Dihydroxy-Hept-6-Enoic Acid; (E,3R,5S)-7-[(7S)-2-(4-Fluorophenyl)-7-(4-Phenylbenzyl)-4,5,6,7-Tetrahydroindazol-3-Yl]-3,5-Dihydroxy-Hept-6-Enoic Acid; 6-Heptenoic Acid, 7-(7-((1,1'-Biphenyl)-4-Ylmethyl)-2-(4-Fluorophenyl)-4,5,6,7-Tetrahydro-2H-Indazol-3-Yl)-3,5-Dihydroxy-, (3(3S*,5R*,7E),7R*)-
• Molecular Formula: C₃₃H₃₃FN₂O₄
• Molecular Weight: 540.63
• CAS Registry Number: 153321-50-7
• SMILES: [C@@H]3(C2=N[N](C1=CC=C(C=C1)F)C(=C2CCC3)\C=C\[C@H](C[C@H](CC(O)=O)O)O)CC5=CC=C(C4=CC=CC=C4)C=C5
• InChI: 1S/C33H33FN2O4/c34-26-13-15-27(16-14-26)36-31(18-17-28(37)20-29(38)21-32(39)40)30-8-4-7-25(33(30)35-36)19-22-9-11-24(12-10-22)23-5-2-1-3-6-23/h1-3,5-6,9-18,25,28-29,37-38H,4,7-8,19-21H2,(H,39,40)/b18-17+/t25-,28+,29+/m0/s1
• InChIKey: LRLBHWLNEJHHLJ-DFFCFZDXSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 798.718°C at 760 mmHg (Cal.)
• Flash point: 436.849°C (Cal.)