(4-alpha,5-beta,6-alpha)-2-Benzoyl-3-(Benzoyloxy)-6-Hydroxy-6-Methyl-4-Phenyl-4,5,6,7-Tetrahydro-2H-Indazole-5-Carboxylic Acid Ethyl Ester
[CAS# 64670-58-2]

Identification

• Name: (4-alpha,5-beta,6-alpha)-2-Benzoyl-3-(Benzoyloxy)-6-Hydroxy-6-Methyl-4-Phenyl-4,5,6,7-Tetrahydro-2H-Indazole-5-Carboxylic Acid Ethyl Ester
• Synonyms: (4S,5R,6S)-6-Hydroxy-6-Methyl-3-(Oxo-Phenylmethoxy)-2-(Oxo-Phenylmethyl)-4-Phenyl-5,7-Dihydro-4H-Indazole-5-Carboxylic Acid Ethyl Ester; (4S,5R,6S)-2-(Benzoyl)-3-(Benzoyloxy)-6-Hydroxy-6-Methyl-4-Phenyl-5,7-Dihydro-4H-Indazole-5-Carboxylic Acid Ethyl Ester; Ethyl (4S,5R,6S)-6-Hydroxy-6-Methyl-4-Phenyl-2-Phenylcarbonyl-3-Phenylcarbonyloxy-5,7-Dihydro-4H-Indazole-5-Carboxylate
• Molecular Formula: C₃₁H₂₈N₂O₆
• Molecular Weight: 524.57
• CAS Registry Number: 64670-58-2
• SMILES: [C@@H]2(C1=C([N](N=C1C[C@]([C@@H]2C(=O)OCC)(C)O)C(C3=CC=CC=C3)=O)OC(C4=CC=CC=C4)=O)C5=CC=CC=C5
• InChI: 1S/C31H28N2O6/c1-3-38-30(36)26-24(20-13-7-4-8-14-20)25-23(19-31(26,2)37)32-33(27(34)21-15-9-5-10-16-21)28(25)39-29(35)22-17-11-6-12-18-22/h4-18,24,26,37H,3,19H2,1-2H3/t24-,26-,31-/m0/s1
• InChIKey: XTSOUWMASYRAAV-NLVXVLGSSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 714.789°C at 760 mmHg (Cal.)
• Flash point: 386.09°C (Cal.)