Deoxoartemisinin
[CAS# 126189-95-5]

Identification

• Name: Deoxoartemisinin
• Synonyms: 3,12-Epoxy-12H-Pyrano(4,3-J)-1,2-Benzodioxepin, Decahydro-3,6,9-Trimethyl-, (3R-(3Alpha,5Abeta,6Beta,8Abeta,9Alpha,12Beta,12Ar*))-; Deoxoartemisinin; Deoxodeoxyartemisinin
• Molecular Formula: C₁₅H₂₄O₄
• Molecular Weight: 268.35
• CAS Registry Number: 126189-95-5
• SMILES: [C@]3(OCC12OOC[C@@H](C=C1C[C@H](CC2C3)C)C)(O)C
• InChI: 1S/C15H24O4/c1-10-4-12-6-11(2)8-18-19-15(12)9-17-14(3,16)7-13(15)5-10/h6,10-11,13,16H,4-5,7-9H2,1-3H3/t10-,11-,13?,14+,15?/m1/s1
• InChIKey: NFHMBUNSGVNWDK-LMXFHCPWSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 372.964°C at 760 mmHg (Cal.)
• Flash point: 179.363°C (Cal.)