2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,7-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Base Information

• Chemical Name: 2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,7-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
• CAS No.: 15130-85-5
• Molecular Formula: C₂₇H₄₄O₇
• Molecular Weight: 480.642
• NSC Number: 342715
• DSSTox Substance ID: DTXSID30915350
• Wikidata: Q82886325
• ChEMBL ID: CHEMBL1967672
• Mol file: 15130-85-5.mol

Synonyms:inokosterone

Chemical Property of 2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,7-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Chemical Property:

• Vapor Pressure: 1.69E-23mmHg at 25°C
• Melting Point: 255℃ (dec.)
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 713.2°Cat760mmHg
• PKA: 14.13±0.70(Predicted)
• Flash Point: 399.1°C
• PSA: 138.45000
• Density: 1.28g/cm³
• LogP: 1.71150
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 480.30870374
• Heavy Atom Count: 34
• Complexity: 843

Purity/Quality:

99%, ^*data from raw suppliers

Inokosterone ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)CO