(3beta,15alpha,17xi)-3-Hydroxy-15,28-Epoxyolean-12-En-28-One
[CAS# 50927-96-3]

Identification

• Name: (3beta,15alpha,17xi)-3-Hydroxy-15,28-Epoxyolean-12-En-28-One
• Synonyms: Astrantiagenin G; Olean-12-en-28-oic acid, 3,15-dihydroxy-, γ-lactone, (3β,15β)-
• Molecular Formula: C₃₀H₄₆O₃
• Molecular Weight: 454.68
• CAS Registry Number: 50927-96-3
• SMILES: O=C1O[C@H]4CC16[C@H](/C3=C/C[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]2(C)[C@@]34C)CC(CC6)(C)C
• InChI: 1S/C30H46O3/c1-25(2)14-15-30-17-23(33-24(30)32)29(7)18(19(30)16-25)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,29)6/h8,19-23,31H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,27-,28+,29-,30?/m0/s1
• InChIKey: ORQLPVMJIRDKMP-OOKKTPIGSA-N

Properties

• Density: 1.121g/cm³ (Cal.)
• Boiling point: 564.939°C at 760 mmHg (Cal.)
• Flash point: 213.216°C (Cal.)