Isoelemicin
[CAS# 487-12-7]

Identification

• Name: Isoelemicin
• Synonyms: 1,2,3-Trimethoxy-5-Prop-1-Enylbenzene; 1,2,3-Trimethoxy-5-Prop-1-Enyl-Benzene; 1,2,3-Trimethoxy-5-[(1E)-1-Propenyl]Benzene
• Molecular Formula: C₁₂H₁₆O₃
• Molecular Weight: 208.26
• CAS Registry Number: 487-12-7
• SMILES: C1=C(C=C(C(=C1OC)OC)OC)\C=C\C
• InChI: 1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+
• InChIKey: RRXOQHQFJOQLQR-AATRIKPKSA-N

Properties

• Density: 1.029g/cm³ (Cal.)
• Boiling point: 306.454°C at 760 mmHg (Cal.)
• Flash point: 102.178°C (Cal.)

References

• (1): Lee Ai-Lan, Ley Steven V.. The synthesis of the anti-malarial natural product polysphorin and analogues using polymer-supported reagents and scavengers, Organic & Biomolecular Chemistry, 2003