Daphnodorin A
[CAS# 95733-03-2]

Identification

• Name: Daphnodorin A
• Synonyms: [(2S)-5-Hydroxy-2,8-Bis(4-Hydroxyphenyl)-3,4-Dihydro-2H-Pyrano[2,3-E]Benzofuran-9-Yl]-(2,4,6-Trihydroxyphenyl)Methanone; Aids-006415; Aids006415
• Molecular Formula: C₃₀H₂₂O₉
• Molecular Weight: 526.50
• CAS Registry Number: 95733-03-2
• SMILES: [C@@H]5(OC1=C(C(=CC2=C1C(=C(O2)C3=CC=C(O)C=C3)C(=O)C4=C(O)C=C(O)C=C4O)O)CC5)C6=CC=C(O)C=C6
• InChI: 1S/C30H22O9/c31-16-5-1-14(2-6-16)23-10-9-19-20(34)13-24-26(30(19)38-23)27(29(39-24)15-3-7-17(32)8-4-15)28(37)25-21(35)11-18(33)12-22(25)36/h1-8,11-13,23,31-36H,9-10H2/t23-/m0/s1
• InChIKey: SFIBBWQCUADULX-QHCPKHFHSA-N

Properties

• Density: 1.538g/cm³ (Cal.)
• Boiling point: 717.285°C at 760 mmHg (Cal.)
• Flash point: 387.6°C (Cal.)