4-(3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Base Information

• Chemical Name: 4-(3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
• CAS No.: 364622-33-3
• Molecular Formula: C27H40O6
• Molecular Weight: 460.6
• Wikidata: Q104201531
• Mol file: 364622-33-3.mol

Synonyms:3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oic acid;3beta,7beta-dihydroxy-4,4,14alpha-trimethyl-11,15-dioxo-5alphachol-8-en-24-oic acid;lucidenic acid LM(1);lucidenic acid SP1

Chemical Property of 4-(3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 202-204 °C
• Boiling Point: 640.712°C at 760 mmHg
• PKA: 4.72±0.10(Predicted)
• Flash Point: 355.291°C
• PSA: 111.90000
• Density: 1.225g/cm³
• LogP: 3.92630
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 460.28248899
• Heavy Atom Count: 33
• Complexity: 933

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

LucidenicacidLM1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC(=O)O)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C