11-O-Demethylpradinone I
[CAS# 132971-63-2]

Identification

• Name: 11-O-Demethylpradinone I
• Synonyms: C06775; Aids-027999; Aids027999
• Molecular Formula: C₂₄H₁₆O₁₀
• Molecular Weight: 464.38
• CAS Registry Number: 132971-63-2
• SMILES: [C@H]2(O)C3=C(C1=C(O)C(=C(C=C1[C@@H]2O)C)C(=O)O)C(=C4C(=C3)C(=O)C5=C(C4=O)C=C(O)C=C5O)O
• InChI: 1S/C24H16O10/c1-6-2-8-15(22(31)13(6)24(33)34)16-10(21(30)20(8)29)5-11-17(23(16)32)19(28)9-3-7(25)4-12(26)14(9)18(11)27/h2-5,20-21,25-26,29-32H,1H3,(H,33,34)/t20-,21-/m0/s1
• InChIKey: ROFMCMXCPNFONV-SFTDATJTSA-N

Properties

• Density: 1.841g/cm³ (Cal.)
• Boiling point: 870.918°C at 760 mmHg (Cal.)
• Flash point: 494.361°C (Cal.)