(3beta)-3-(Acetyloxy)-27-(Benzoyloxy)-Lup-20(29)-En-28-Oic Acid Methyl Ester
[CAS# 102637-02-5]

Identification

• Name: (3beta)-3-(Acetyloxy)-27-(Benzoyloxy)-Lup-20(29)-En-28-Oic Acid Methyl Ester
• Molecular Formula: C₄₀H₅₆O₆
• Molecular Weight: 632.88
• CAS Registry Number: 102637-02-5
• SMILES: [C@@H]1(CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@]5(C(=O)OC)[C@H]4[C@@H](CC5)C(=C)C)COC(C6=CC=CC=C6)=O)C)C)OC(C)=O
• InChI: 1S/C40H56O6/c1-25(2)28-16-21-39(35(43)44-8)22-23-40(24-45-34(42)27-12-10-9-11-13-27)29(33(28)39)14-15-31-37(6)19-18-32(46-26(3)41)36(4,5)30(37)17-20-38(31,40)7/h9-13,28-33H,1,14-24H2,2-8H3/t28-,29+,30-,31+,32-,33-,37-,38+,39-,40-/m0/s1
• InChIKey: MYBPKOKJNVOFNJ-GTKYOZKMSA-N

Properties

• Density: 1.136g/cm³ (Cal.)
• Boiling point: 645.081°C at 760 mmHg (Cal.)
• Flash point: 260.454°C (Cal.)