3-Hydroxy-7-Methylcholanoic Acid
[CAS# 96648-30-5]

Identification

• Name: 3-Hydroxy-7-Methylcholanoic Acid
• Synonyms: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-7,10,13-Trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3-Hydroxy-7-Methylcholanoic Acid; 3Alpha-Hydroxy-7Epsilon-Methyl-5Beta-Cholanoic Acid
• Molecular Formula: C₂₅H₄₂O₃
• Molecular Weight: 390.61
• CAS Registry Number: 96648-30-5
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCC(=O)O)C)(CC[C@@H]2[C@@]4([C@H](CC3C)C[C@H](O)CC4)C)C
• InChI: 1S/C25H42O3/c1-15(5-8-22(27)28)19-6-7-20-23-16(2)13-17-14-18(26)9-11-24(17,3)21(23)10-12-25(19,20)4/h15-21,23,26H,5-14H2,1-4H3,(H,27,28)/t15-,16?,17-,18-,19-,20+,21+,23+,24+,25-/m1/s1