3-Oxocholest-4-En-26-Oic Acid
[CAS# 23017-97-2]

Identification

• Name: 3-Oxocholest-4-En-26-Oic Acid
• Synonyms: ?4-Dafachronic Acid; 3-oxo-cholest-4-en-26-oic acid
• Molecular Formula: C₂₇H₄₂O₃
• Molecular Weight: 414.62
• CAS Registry Number: 23017-97-2
• SMILES: OC(=O)C(C)CCC[C@@H](C)[C@H]3CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@@]23C
• InChI: 1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18?,21+,22-,23+,24+,26+,27-/m1/s1
• InChIKey: PSXQJZDFWDKBIP-NNWQCNCGSA-N

Properties

• Density: 1.078g/cm³ (Cal.)
• Boiling point: 554.631°C at 760 mmHg (Cal.)
• Flash point: 303.289°C (Cal.)
• Refractive index: (Cal.)