3beta,16alpha,21beta-Trihydroxyolean-12-En-28-Oic Acid
[CAS# 1962-14-7]

Identification

• Name: 3beta,16alpha,21beta-Trihydroxyolean-12-En-28-Oic Acid
• Synonyms: Acacic Acid; Olean-12-En-28-Oic Acid, 3,16,21-Trihydroxy-, (3Beta,16Alpha,21Beta)-
• Molecular Formula: C₃₀H₄₈O₅
• Molecular Weight: 488.71
• CAS Registry Number: 1962-14-7
• 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[C@H](O)C(C5)(C)C)C(=O)O)C)C
• InChI: 1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-23(33)30(18,24(34)35)16-22(25)32/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)/t18-,19?,20+,21-,22-,23+,27-,28+,29+,30+/m0/s1
• InChIKey: CFKXWTNHIJAFNL-CVYPFVTBSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 616.889°C at 760 mmHg (Cal.)
• Flash point: 340.899°C (Cal.)