(2beta,3beta,5xi,6beta,18alpha)-2,3,6,23-Tetrahydroxyolean-12-En-28-Oic Acid
[CAS# 37905-13-8]

Identification

• Name: (2beta,3beta,5xi,6beta,18alpha)-2,3,6,23-Tetrahydroxyolean-12-En-28-Oic Acid
• Molecular Formula: C₃₀H₄₈O₆
• Molecular Weight: 504.70
• CAS Registry Number: 37905-13-8
• SMILES: O=C(O)[C@]35[C@@H](C\2=C\C[C@@H]1[C@@]4(C([C@H](O)C[C@]1([C@]/2(C)CC3)C)[C@](C)(CO)[C@@H](O)[C@@H](O)C4)C)CC(C)(C)CC5
• InChI: 1S/C30H48O6/c1-25(2)9-11-30(24(35)36)12-10-28(5)17(18(30)13-25)7-8-21-26(3)14-20(33)23(34)27(4,16-31)22(26)19(32)15-29(21,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20+,21-,22?,23+,26-,27+,28-,29-,30+/m1/s1
• InChIKey: IDQVFXZQPGAVAM-LNFSHTRFSA-N

Properties

• Density: 1.237g/cm³ (Cal.)
• Boiling point: 638.062°C at 760 mmHg (Cal.)
• Flash point: 353.69°C (Cal.)