Sergeolide
[CAS# 82290-17-3]

Identification

• Name: Sergeolide
• Synonyms: New Quassinoid Sergeolide; C08782; Sergeolide
• Molecular Formula: C₂₅H₂₈O₁₁
• Molecular Weight: 504.49
• CAS Registry Number: 82290-17-3
• SMILES: [C@]123[C@@H]4[C@](OC1)([C@@H](O)[C@H](O)[C@@H]2[C@@]6([C@@H](C[C@H]3OC(=O)[C@@H]4OC(=O)C)[C@@H](C5=CC(OC5=C6)=O)C)C)C(OC)=O
• InChI: 1S/C25H28O11/c1-9-11-5-15(27)35-13(11)7-23(3)12(9)6-14-24-8-33-25(22(31)32-4,20(29)16(28)18(23)24)19(24)17(21(30)36-14)34-10(2)26/h5,7,9,12,14,16-20,28-29H,6,8H2,1-4H3/t9-,12+,14-,16-,17-,18-,19-,20+,23+,24-,25+/m1/s1
• InChIKey: ZZKFDOQILIXHHH-OKNMSMBGSA-N

Properties

• Density: 1.528g/cm³ (Cal.)
• Boiling point: 746.048°C at 760 mmHg (Cal.)
• Flash point: 255.093°C (Cal.)