Autumnolide
[CAS# 20505-32-2]

Identification

• Name: Autumnolide
• Synonyms: Autumnolide; C09346
• Molecular Formula: C₁₅H₂₀O₅
• Molecular Weight: 280.32
• CAS Registry Number: 20505-32-2
• SMILES: [C@H]12O[C@H]1[C@H](O)[C@@]4([C@@H]2[C@@H](C[C@H]3OC(=O)C([C@H]3[C@@H]4O)=C)C)C
• InChI: 1S/C15H20O5/c1-5-4-7-8(6(2)14(18)19-7)12(16)15(3)9(5)10-11(20-10)13(15)17/h5,7-13,16-17H,2,4H2,1,3H3/t5-,7-,8-,9-,10-,11-,12+,13+,15-/m1/s1
• InChIKey: NWSWVIKHALGAER-KVLFNOHQSA-N

Properties

• Density: 1.363g/cm³ (Cal.)
• Boiling point: 505.211°C at 760 mmHg (Cal.)
• Flash point: 192.506°C (Cal.)

References

• (1): Von Dreele Robert B., Pettit George R., Cragg Gordon M., Ode Richard H.. Antineoplastic agents. 36. Crystal and molecular structure of the pseudoguaianolide autumnolide, Journal of the American Chemical Society, 1975