(3aR,12aR)-3a,12a-Dihydro-3a,4,6-trihydroxy-9-(3-hydroxy-3-methylbutyl)-5H-Furo[3',2':4,5]furo[3,2-b]xanthen-5-one
[CAS# 55256-53-6]

Identification

• Name: (3aR,12aR)-3a,12a-Dihydro-3a,4,6-trihydroxy-9-(3-hydroxy-3-methylbutyl)-5H-Furo[3',2':4,5]furo[3,2-b]xanthen-5-one
• Synonyms: Ccris 2008; 5H-Furo[3',2':4,5]Furo[3,2-B]Xanthen-5-One, 3A,12A-Dihydro-3A,4,6-Trihydroxy-9-(3-Hydroxy- 3-Methylbutyl)-, (3Ar-Cis)-; 5H-Furo[3',2':4,5]Furo[3,2-B]Xanthen-5-One, 3A,12A-Dihydro-3A,4,6-Trihydroxy-9-(3-Hydroxy-3-Methylbutyl)-, (3Ar,12Ar)-
• Molecular Formula: C₂₂H₂₀O₈
• Molecular Weight: 412.40
• CAS Registry Number: 55256-53-6
• SMILES: [C@@]15(O)[C@@H](OC2=CC3=C(C(=C12)O)C(=O)C4=C(O3)C(=CC=C4O)CCC(O)(C)C)OC=C5
• InChI: 1S/C22H20O8/c1-21(2,26)6-5-10-3-4-11(23)14-17(24)15-12(29-19(10)14)9-13-16(18(15)25)22(27)7-8-28-20(22)30-13/h3-4,7-9,20,23,25-27H,5-6H2,1-2H3/t20-,22-/m1/s1
• InChIKey: VXTQFTUOAJRUDO-IFMALSPDSA-N

Properties

• Density: 1.581g/cm³ (Cal.)
• Boiling point: 726.285°C at 760 mmHg (Cal.)
• Flash point: 259.902°C (Cal.)