Quassimarin
[CAS# 59938-97-5]

Identification

• Name: Quassimarin
• Synonyms: Quassimarin
• Molecular Formula: C₂₆H₃₄O₁₁
• Molecular Weight: 522.55
• CAS Registry Number: 59938-97-5
• SMILES: [C@]123[C@H]4[C@@]5([C@@H](C[C@H]1OC(=O)[C@H](OC(=O)[C@H](OC(=O)C)CC)[C@H]2[C@](OC3)([C@@H](O)[C@@H]4O)C)C(=CC(=O)[C@H]5O)C)C
• InChI: 1S/C26H34O11/c1-6-14(35-11(3)27)22(32)37-17-19-25(5)21(31)16(29)18-24(4)12(10(2)7-13(28)20(24)30)8-15(36-23(17)33)26(18,19)9-34-25/h7,12,14-21,29-31H,6,8-9H2,1-5H3/t12-,14+,15+,16+,17+,18+,19-,20+,21-,24-,25-,26+/m0/s1
• InChIKey: QOXAISGIEITGJU-HGXLBWMBSA-N

Properties

• Density: 1.436g/cm³ (Cal.)
• Boiling point: 727.192°C at 760 mmHg (Cal.)
• Flash point: 242.487°C (Cal.)