13,28-Epoxy-3beta-Hydroxy-30,30-Dimethoxyoleanan-16-One
[CAS# 20475-74-5]

Identification

• Name: 13,28-Epoxy-3beta-Hydroxy-30,30-Dimethoxyoleanan-16-One
• Molecular Formula: C₃₂H₅₂O₅
• Molecular Weight: 516.76
• CAS Registry Number: 20475-74-5
• SMILES: [C@H]12C([C@H](CC[C@@]1([C@@H]6[C@](CC2)(C)[C@]3(C)CC([C@]45CO[C@]3([C@@H]4C[C@@](CC5)(C)C(OC)OC)CC6)=O)C)O)(C)C
• InChI: 1S/C32H52O5/c1-26(2)20-9-13-29(5)21(28(20,4)12-11-23(26)33)10-14-32-22-17-27(3,25(35-7)36-8)15-16-31(22,19-37-32)24(34)18-30(29,32)6/h20-23,25,33H,9-19H2,1-8H3/t20-,21+,22+,23-,27-,28-,29+,30-,31+,32-/m0/s1
• InChIKey: VJTHGWPCJWOKLN-WIFRURKKSA-N

Properties

• Density: 1.131g/cm³ (Cal.)
• Boiling point: 580.009°C at 760 mmHg (Cal.)
• Flash point: 176.01°C (Cal.)