Pradimicinone
[CAS# 116276-03-0]

Identification

• Name: Pradimicinone
• Synonyms: Aids003754; Bmy-28750; Benanomicinone Agl
• Molecular Formula: C₂₈H₂₃NO₁₁
• Molecular Weight: 549.49
• CAS Registry Number: 116276-03-0
• SMILES: [C@H]2(O)C1=CC4=C(C(=C1C3=C([C@@H]2O)C=C(C(=C3O)C(=O)N[C@@H](C(=O)O)C)C)O)C(=O)C5=C(C4=O)C(=CC(=C5)OC)O
• InChI: 1S/C28H23NO11/c1-8-4-11-18(25(35)16(8)27(37)29-9(2)28(38)39)19-13(24(34)23(11)33)7-14-20(26(19)36)22(32)12-5-10(40-3)6-15(30)17(12)21(14)31/h4-7,9,23-24,30,33-36H,1-3H3,(H,29,37)(H,38,39)/t9-,23+,24+/m1/s1
• InChIKey: MXDWXJYFRRURMW-ILWJZNQRSA-N

Properties

• Density: 1.647g/cm³ (Cal.)
• Boiling point: 903.222°C at 760 mmHg (Cal.)
• Flash point: 500.051°C (Cal.)