3beta,16beta-Dihydroxyolean-12-En-28-Oic Acid
[CAS# 545-88-0]

Identification

• Name: 3beta,16beta-Dihydroxyolean-12-En-28-Oic Acid
• Synonyms: 3Beta,16Beta-Dihydroxy-Olean-12-En-28-Oic Acid; Cochalic Acid; Olean-12-En-28-Oic Acid, 3,16-Dihydroxy-, (3Beta,16Beta)-
• Molecular Formula: C₃₀H₄₈O₄
• Molecular Weight: 472.71
• CAS Registry Number: 545-88-0
• SMILES: [C@@]13([C@]4(C(=CC[C@@H]1[C@@]2(C(C([C@@H](O)CC2)(C)C)CC3)C)[C@@H]5[C@]([C@@H](O)C4)(C(=O)O)CCC(C5)(C)C)C)C
• InChI: 1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21-,22+,23+,27+,28-,29-,30-/m1/s1
• InChIKey: YKOPWPOFWMYZJZ-GHQYYBFDSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 584.966°C at 760 mmHg (Cal.)
• Flash point: 321.614°C (Cal.)