3-Oxochola-4,6-dien-24-oic acid
[CAS# 88179-71-9]

Identification

• Name: 3-Oxochola-4,6-dien-24-oic acid
• Synonyms: 3-Oxochola-4,6-dien-24-oic Acid; LMST04010235
• Molecular Formula: C₂₄H₃₄O₃
• Molecular Weight: 370.52
• CAS Registry Number: 88179-71-9
• SMILES: O=C4\C=C3\C=C/[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCC(=O)O)C)[C@@]3(C)CC4
• InChI: 1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5-6,14-15,18-21H,4,7-13H2,1-3H3,(H,26,27)/t15-,18+,19-,20+,21+,23+,24-/m1/s1
• InChIKey: CREVIXFSUWYGRJ-IHMUCKAYSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 541.843°C at 760 mmHg (Cal.)
• Flash point: 295.563°C (Cal.)