Glyceollin
[CAS# 57103-57-8]

Identification

• Name: Glyceollin
• Synonyms: (-)-Glyceollin I; C01701; Glyceollin
• Molecular Formula: C₂₀H₁₈O₅
• Molecular Weight: 338.36
• CAS Registry Number: 57103-57-8
• SMILES: [C@@]14([C@H](C3=C(OC1)C2=C(OC(C=C2)(C)C)C=C3)OC5=C4C=CC(=C5)O)O
• InChI: 1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1
• InChIKey: YIFYYPKWOQSCRI-AZUAARDMSA-N

Properties

• Density: 1.397g/cm³ (Cal.)
• Boiling point: 527.374°C at 760 mmHg (Cal.)
• Flash point: 272.746°C (Cal.)