3beta,25-Epoxy-3-Hydroxyurs-12-En-28-Oic Acid
[CAS# 22626-26-2]

Identification

• Name: 3beta,25-Epoxy-3-Hydroxyurs-12-En-28-Oic Acid
• Molecular Formula: C₃₀H₄₆O₄
• Molecular Weight: 470.69
• CAS Registry Number: 22626-26-2
• SMILES: [C@@H]34C12[C@H](C([C@@](OC1)(O)CC2)(C)C)CC[C@]3([C@]5(C(=CC4)[C@H]6[C@](CC5)(C(=O)O)CC[C@H]([C@@H]6C)C)C)C
• InChI: 1S/C30H46O4/c1-18-9-12-28(24(31)32)14-13-26(5)20(23(28)19(18)2)7-8-22-27(26,6)11-10-21-25(3,4)30(33)16-15-29(21,22)17-34-30/h7,18-19,21-23,33H,8-17H2,1-6H3,(H,31,32)/t18-,19+,21+,22+,23+,26-,27-,28+,29?,30-/m1/s1
• InChIKey: WFSVWMKYCNCEAW-AAPRJYRRSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 586.371°C at 760 mmHg (Cal.)
• Flash point: 185.536°C (Cal.)