(3beta,16alpha,21alpha,22alpha)-16,21-Epoxyolean-12-Ene-3,22,24,28-Tetrol
[CAS# 17806-68-7]

Identification

• Name: (3beta,16alpha,21alpha,22alpha)-16,21-Epoxyolean-12-Ene-3,22,24,28-Tetrol
• Molecular Formula: C₃₀H₄₈O₅
• Molecular Weight: 488.70
• CAS Registry Number: 17806-68-7
• SMILES: O[C@H]6CC[C@@]5(C)[C@@H](CC[C@]2(C)[C@@H]5C\C=C1\[C@@H]4CC(C)(C)[C@@H]3O[C@H](C[C@]12C)[C@@]4(CO)[C@H]3O)[C@@]6(C)CO
• InChI: 1S/C30H48O5/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22-30(18,16-32)23(34)24(25)35-22/h7,18-24,31-34H,8-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24+,26-,27+,28+,29+,30-/m0/s1
• InChIKey: LNFFTNDQZFXWHS-OTRNTIHZSA-N

Properties

• Density: 1.217g/cm³ (Cal.)
• Boiling point: 609.736°C at 760 mmHg (Cal.)
• Flash point: 322.557°C (Cal.)
• Refractive index: 1.593 (Cal.)