(3aR)-3a,12aalpha-Dihydro-3a,6-Dihydroxy-4-Methoxy-5H-Furo[3',2':4,5]Furo[3,2-b]Xanthen-5-One
[CAS# 58775-51-2]

Identification

• Name: (3aR)-3a,12aalpha-Dihydro-3a,6-Dihydroxy-4-Methoxy-5H-Furo[3',2':4,5]Furo[3,2-b]Xanthen-5-One
• Synonyms: 5H-Furo(3',2':4,5)Furo(3,2-B)Xanthen-5-One, 3A,12A-Dihydro-3A,6-Dihydroxy-4-Methoxy-, (3Ar-Cis)-; Austocystin I
• Molecular Formula: C₁₈H₁₂O₇
• Molecular Weight: 340.29
• CAS Registry Number: 58775-51-2
• SMILES: [C@@]23(C1=C(C4=C(C=C1O[C@H]2OC=C3)OC5=C(C4=O)C(=CC=C5)O)OC)O
• InChI: 1S/C18H12O7/c1-22-16-13-10(24-9-4-2-3-8(19)12(9)15(13)20)7-11-14(16)18(21)5-6-23-17(18)25-11/h2-7,17,19,21H,1H3/t17-,18-/m1/s1
• InChIKey: XHQIJMIDMXGFJD-QZTJIDSGSA-N

Properties

• Density: 1.648g/cm³ (Cal.)
• Boiling point: 645.547°C at 760 mmHg (Cal.)
• Flash point: 244.109°C (Cal.)