3,7-Diketo-5beta-Cholan-24-Oic Acid
[CAS# 28332-53-8]

Identification

• Name: 3,7-Diketo-5beta-Cholan-24-Oic Acid
• Synonyms: (4R)-4-[(8R,9S,10S,13R,14S,17R)-3,7-Diketo-10,13-Dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3,7-Dioxocholanoic Acid; 3,7-Doca
• Molecular Formula: C₂₄H₃₆O₄
• Molecular Weight: 388.55
• CAS Registry Number: 28332-53-8
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCC(=O)O)C)(CC[C@@H]2[C@@]4(C(CC3=O)CC(=O)CC4)C)C
• InChI: 1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-19,22H,4-13H2,1-3H3,(H,27,28)/t14-,15?,17-,18+,19+,22+,23+,24-/m1/s1
• InChIKey: IOOKJGQHLHXYEF-LXLZRLDFSA-N