5beta-Cholestan-26-oic acid, 3alpha,7alpha-dihydroxy-, methyl ester

Base Information

• Chemical Name: 5beta-Cholestan-26-oic acid, 3alpha,7alpha-dihydroxy-, methyl ester
• CAS No.: 13316-62-6
• Molecular Formula: C28H48O4
• Molecular Weight: 448.7
• Nikkaji Number: J119.055E
• Mol file: 13316-62-6.mol

Synonyms:13316-62-6;3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid methyl ester;methyl (6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoate;MLFCVGMJWKXAOJ-FOTLVJTQSA-N;5.beta.-Cholestan-26-oic acid, 3.alpha.,7.alpha.-dihydroxy-, methyl ester;Cholestan-26-oic acid, 3,7-dihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.)-;Methyl 3.alpha.,7.alpha.-dihydroxy-5.beta.-cholestan-26-oate;Methyl 3,7-dihydroxycholestan-26-oate, (3.alpha.,5.beta.,7.alpha.)-

Chemical Property of 5beta-Cholestan-26-oic acid, 3alpha,7alpha-dihydroxy-, methyl ester

Chemical Property:

• PKA: 14.80±0.70(Predicted)
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 448.35526001
• Heavy Atom Count: 32
• Complexity: 678

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(CCCC(C)C(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
• Isomeric SMILES: C[C@H](CCCC(C)C(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

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