3-Oxolup-20(29)-En-30,21alpha-Olide
[CAS# 138913-61-8]

Identification

• Name: 3-Oxolup-20(29)-En-30,21alpha-Olide
• Synonyms: Lup-20(30)-En-29-Oic Acid, 21-Hydroxy-3-Oxo-, Gamma-Lactone, (21Alpha)-
• Molecular Formula: C₃₀H₄₄O₃
• Molecular Weight: 452.68
• CAS Registry Number: 138913-61-8
• SMILES: [C@@H]36[C@@H]1[C@](C[C@@H]2OC(=O)C(C12)=C)(CC[C@]3([C@]5([C@@H]([C@@]4([C@H](C(C(=O)CC4)(C)C)CC5)C)CC6)C)C)C
• InChI: 1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19+,20+,21-,23?,24+,27+,28+,29-,30-/m1/s1
• InChIKey: YCZVTFNLKYNKPH-MZDZSEAKSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 555.25°C at 760 mmHg (Cal.)
• Flash point: 234.293°C (Cal.)