Methyl (3beta,5xi,9xi,13xi,18alpha)-3-Acetoxyolean-11-En-28-Oate
[CAS# 1721-57-9]

Identification

• Name: Methyl (3beta,5xi,9xi,13xi,18alpha)-3-Acetoxyolean-11-En-28-Oate
• Synonyms: (4aS,6aS,6bR,10S,12aR,14bR)-methyl-10-acetoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,13a,15,15a,15b-octadecahydropiceno[2,3-d]isoxazole-4a-carboxylate
• Molecular Formula: C₃₃H₅₂O₄
• Molecular Weight: 512.76
• CAS Registry Number: 1721-57-9
• SMILES: CC(=O)O[C@@H]1[C@@](C2[C@@](C3[C@]([C@]4(C([C@@H]5[C@@](CC4)(CC[C@@](C5)(C)C)C(=O)OC)C=C3)C)(CC2)C)(CC1)C)(C)C
• InChI: 1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h10-11,22-26H,12-20H2,1-9H3/t22?,23-,24?,25?,26+,30+,31-,32-,33+/m1/s1
• InChIKey: ZTJPDISLTABNNU-HBXVOSGRSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 531.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 249.3±28.5°C (Cal.)
• Refractive index: 1.532 (Cal.)