20,29-Epoxy-3-Oxolupan-30,21alpha-Olide
[CAS# 138913-62-9]

Identification

• Name: 20,29-Epoxy-3-Oxolupan-30,21alpha-Olide
• Synonyms: Lupan-29-Oic Acid, 20,30-Epoxy-21-Hydroxy-3-Oxo-, Gamma-Lactone, (21Alpha)-; Ochraceolide B
• Molecular Formula: C₃₀H₄₄O₄
• Molecular Weight: 468.68
• CAS Registry Number: 138913-62-9
• SMILES: [C@@H]46[C@@H]3[C@]([C@]2([C@@H]([C@@]1([C@H](C(C(=O)CC1)(C)C)CC2)C)CC3)C)(CC[C@]4(CC7OC(=O)C5(OC5)[C@@H]67)C)C
• InChI: 1S/C30H44O4/c1-25(2)19-9-12-29(6)20(27(19,4)11-10-21(25)31)8-7-17-22-23-18(34-24(32)30(23)16-33-30)15-26(22,3)13-14-28(17,29)5/h17-20,22-23H,7-16H2,1-6H3/t17-,18?,19+,20-,22+,23-,26+,27+,28-,29-,30?/m1/s1
• InChIKey: BSKDFVKLMLKTPZ-XTUJKRHWSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 568.476°C at 760 mmHg (Cal.)
• Flash point: 240.215°C (Cal.)