(3aS-cis)-3a,12a-Dihydro-4,6-dihydroxy-9-(3-hydroxy-3-methylbutyl)-5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one
[CAS# 55256-57-0]

Identification

• Name: (3aS-cis)-3a,12a-Dihydro-4,6-dihydroxy-9-(3-hydroxy-3-methylbutyl)-5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one
• Synonyms: Austocystin B; Brn 5168709; Ccris 2006
• Molecular Formula: C₂₂H₂₀O₇
• Molecular Weight: 396.40
• CAS Registry Number: 55256-57-0
• SMILES: [C@@H]15[C@@H](OC2=CC3=C(C(=C12)O)C(=O)C4=C(O3)C(=CC=C4O)CCC(O)(C)C)OC=C5
• InChI: 1S/C22H20O7/c1-22(2,26)7-5-10-3-4-12(23)16-19(25)17-14(28-20(10)16)9-13-15(18(17)24)11-6-8-27-21(11)29-13/h3-4,6,8-9,11,21,23-24,26H,5,7H2,1-2H3/t11-,21+/m0/s1
• InChIKey: JWPAJVNQGTWPMI-WIUDPPPLSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 619.997°C at 760 mmHg (Cal.)
• Flash point: 221.047°C (Cal.)