Cleistanthin
[CAS# 25047-48-7]

Identification

• Name: Cleistanthin
• Synonyms: 4-(1,3-Benzodioxol-5-Yl)-9-[(3R,4R,5R)-3-Hydroxy-4,5-Dimethoxy-Tetrahydropyran-2-Yl]Oxy-6,7-Dimethoxy-1H-Benzo[F]Isobenzofuran-3-One; 4-(1,3-Benzodioxol-5-Yl)-9-[[(3R,4R,5R)-3-Hydroxy-4,5-Dimethoxy-2-Tetrahydropyranyl]Oxy]-6,7-Dimethoxy-1H-Benzo[F]Isobenzofuran-3-One; 4-(1,3-Benzodioxol-5-Yl)-9-[(3R,4R,5R)-3-Hydroxy-4,5-Dimethoxy-Oxan-2-Yl]Oxy-6,7-Dimethoxy-1H-Benzo[F][2]Benzoxol-3-One
• Molecular Formula: C₂₈H₂₈O₁₁
• Molecular Weight: 540.52
• CAS Registry Number: 25047-48-7
• SMILES: [C@@H]6(C(OC3=C5C(=C(C1=CC2=C(C=C1)OCO2)C4=C3C=C(C(=C4)OC)OC)C(=O)OC5)OC[C@@H](OC)[C@@H]6OC)O
• InChI: 1S/C28H28O11/c1-31-18-8-14-15(9-19(18)32-2)25(39-28-24(29)26(34-4)21(33-3)11-36-28)16-10-35-27(30)23(16)22(14)13-5-6-17-20(7-13)38-12-37-17/h5-9,21,24,26,28-29H,10-12H2,1-4H3/t21-,24-,26+,28?/m1/s1
• InChIKey: FCOQWUOWHWHTJP-URRSQCJUSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Boiling point: 776.842°C at 760 mmHg (Cal.)
• Flash point: 260.477°C (Cal.)