(3aR,8aS,13bR,13cS)-8a-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol
[CAS# 89200-00-0]

Identification

• Name: (3aR,8aS,13bR,13cS)-8a-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol
• Synonyms: 3aH-Benzo(3,4)(2)benzopyrano(1,8-bc)(1)benzopyran-4,11-diol, 8a-(2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl)-1,8a,13b,13c-tetrahydro-6-(6-hydroxy-2-benzofuranyl)-2-methyl-, (3aR-(3aα,8aα,13bβ,13cα))-; Mulberrofuran F
• Molecular Formula: C₃₉H₃₄O₈
• Molecular Weight: 630.68
• CAS Registry Number: 89200-00-0
• SMILES: Oc1ccc2cc(oc2c1)c5cc6O[C@]7(Oc3c(ccc(O)c3)[C@H]4[C@H]7[C@@H](/C=C(/C)C4)c6c(O)c5)c8ccc(O)c(c8O)C\C=C(/C)C
• InChI: 1S/C39H34O8/c1-19(2)4-8-26-30(42)11-10-29(38(26)44)39-37-27(25-9-7-24(41)18-34(25)46-39)12-20(3)13-28(37)36-31(43)14-22(16-35(36)47-39)32-15-21-5-6-23(40)17-33(21)45-32/h4-7,9-11,13-18,27-28,37,40-44H,8,12H2,1-3H3/t27-,28-,37-,39+/m0/s1
• InChIKey: SCNZCLDHJJSZBK-ROLQACJLSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 740.071°C at 760 mmHg (Cal.)
• Flash point: 401.381°C (Cal.)