(2R,4R,4aR,6S,8aS)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

Base Information

• Chemical Name: (2R,4R,4aR,6S,8aS)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
• CAS No.: 79678-32-3
• Molecular Formula: C26H42O3
• Molecular Weight: 402.31
• UNII: 3HMR7H9HX8
• DSSTox Substance ID: DTXSID101016261
• Nikkaji Number: J332.251C
• Wikipedia: CP_55,244
• Wikidata: Q27076897
• Pharos Ligand ID: ZZ2JA41FS5TP
• Mol file: 79678-32-3.mol

Synonyms:CP 55,244;CP 55244;CP 55244, (2R-(2alpha,4abeta,6alpha,8alpha,8aalpha))-isomer;CP 55244, (2S-(2alpha,4abeta-6alpha,8alpha,8aalpha))-isomer;CP 97587;CP-55244

Chemical Property of (2R,4R,4aR,6S,8aS)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

Chemical Property:

• Vapor Pressure: 9.35E-12mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 522.8°C at 760 mmHg
• Flash Point: 220°C
• Density: 1.043g/cm³
• XLogP3: 7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 402.31339520
• Heavy Atom Count: 29
• Complexity: 490

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CC3C2CC(CC3)CO)O)O
• Isomeric SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2C[C@@H](C[C@H]3[C@H]2C[C@H](CC3)CO)O)O