Isodon Shikokianus, Compound A
[CAS# 73211-11-7]

Identification

• Name: Isodon Shikokianus, Compound A
• Synonyms: Isodon Shikokianus Compound A; Nsc302979; Shikoccin
• Molecular Formula: C₂₂H₃₀O₅
• Molecular Weight: 374.48
• CAS Registry Number: 73211-11-7
• SMILES: CC1(C2C(CCC1OC(=O)C)(C(=O)CCC3C=C(C(O)C2)C(=O)C3=C)C)C
• InChI: 1S/C22H30O5/c1-12-14-6-7-18(25)22(5)9-8-19(27-13(2)23)21(3,4)17(22)11-16(24)15(10-14)20(12)26/h10,14,16-17,19,24H,1,6-9,11H2,2-5H3
• InChIKey: SZAHIEIJJDKFRX-UHFFFAOYSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 525.692°C at 760 mmHg (Cal.)
• Flash point: 178.406°C (Cal.)