(3aR,12aR)-3a,12a-Dihydro-3a,4,6-trihydroxy-9-(3-methyl-2-butenyl)-5H-Furo[3',2':4,5]furo[3,2-b]xanthen-5-one
[CAS# 58775-50-1]

Identification

• Name: (3aR,12aR)-3a,12a-Dihydro-3a,4,6-trihydroxy-9-(3-methyl-2-butenyl)-5H-Furo[3',2':4,5]furo[3,2-b]xanthen-5-one
• Synonyms: Austocystin H; Ccris 2009
• Molecular Formula: C₂₂H₁₈O₇
• Molecular Weight: 394.38
• CAS Registry Number: 58775-50-1
• SMILES: [C@@]15(O)[C@@H](OC2=CC3=C(C(=C12)O)C(=O)C4=C(O3)C(=CC=C4O)CC=C(C)C)OC=C5
• InChI: 1S/C22H18O7/c1-10(2)3-4-11-5-6-12(23)15-18(24)16-13(28-20(11)15)9-14-17(19(16)25)22(26)7-8-27-21(22)29-14/h3,5-9,21,23,25-26H,4H2,1-2H3/t21-,22-/m1/s1
• InChIKey: LEZJSOUYTQTLGF-FGZHOGPDSA-N

Properties

• Density: 1.536g/cm³ (Cal.)
• Boiling point: 688.34°C at 760 mmHg (Cal.)
• Flash point: 248.075°C (Cal.)