(3aR-cis)-3a,12a-Dihydro-3a,6-dihydroxy-9-(3-hydroxy-3-methylbutyl)-4-methoxy-5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one
[CAS# 55256-54-7]

Identification

• Name: (3aR-cis)-3a,12a-Dihydro-3a,6-dihydroxy-9-(3-hydroxy-3-methylbutyl)-4-methoxy-5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one
• Synonyms: Austocystin E
• Molecular Formula: C₂₃H₂₂O₈
• Molecular Weight: 426.42
• CAS Registry Number: 55256-54-7
• SMILES: [C@]45(C3=C(C1=C(OC2=C(C1=O)C(=CC=C2CCC(O)(C)C)O)C=C3O[C@@H]4OC=C5)OC)O
• InChI: 1S/C23H22O8/c1-22(2,26)7-6-11-4-5-12(24)15-18(25)16-13(30-19(11)15)10-14-17(20(16)28-3)23(27)8-9-29-21(23)31-14/h4-5,8-10,21,24,26-27H,6-7H2,1-3H3/t21-,23-/m0/s1
• InChIKey: ICLRNDIRYAEKCT-GMAHTHKFSA-N

Properties

• Density: 1.489g/cm³ (Cal.)
• Boiling point: 695.731°C at 760 mmHg (Cal.)
• Flash point: 245.54°C (Cal.)