2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 2-benzoyl-3-(benzoyloxy)-6-hydroxy-6-methyl-4-phenyl-, ethyl ester, (4-alpha,5-beta,6-alpha)-

Base Information

• Chemical Name: 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 2-benzoyl-3-(benzoyloxy)-6-hydroxy-6-methyl-4-phenyl-, ethyl ester, (4-alpha,5-beta,6-alpha)-
• CAS No.: 64670-58-2
• Molecular Formula: C31H28 N2 O6
• Molecular Weight: 524.56
• DSSTox Substance ID: DTXSID20214945
• Wikidata: Q76152683
• Mol file: 64670-58-2.mol

Synonyms:2(H)-Benzoyl-3-benzoyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole;2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 2-benzoyl-3-(benzoyloxy)-6-hydroxy-6-methyl-4-phenyl-, ethyl ester, (4-alpha,5-beta,6-alpha)-;64670-58-2;C31-H28-N2-O6;DTXSID20214945;LS-81459

Chemical Property of 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 2-benzoyl-3-(benzoyloxy)-6-hydroxy-6-methyl-4-phenyl-, ethyl ester, (4-alpha,5-beta,6-alpha)-

Chemical Property:

• Vapor Pressure: 1.92E-21mmHg at 25°C
• Boiling Point: 714.8°C at 760 mmHg
• Flash Point: 386.1°C
• PSA: 107.72000
• Density: 1.28g/cm³
• LogP: 4.40910
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 524.19473662
• Heavy Atom Count: 39
• Complexity: 878

Purity/Quality:

99%min ^*data from raw suppliers

(4ALPHA,5BETA,6ALPHA)-2-BENZOYL-3-(BENZOYLOXY)-6-HYDROXY-6-METHYL-4-PHENYL-2H-INDAZOLE-5-CARBOXYLIC ACID-4,5,6,7-TETRAHYDRO ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(C2=C(N(N=C2CC1(C)O)C(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5
• Isomeric SMILES: CCOC(=O)[C@@H]1[C@H](C2=C(N(N=C2C[C@]1(C)O)C(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5