Fredericamycin A
[CAS# 80455-68-1]

Identification

• Name: Fredericamycin A
• Synonyms: 4',9,9'-Trihydroxy-7'-Methoxy-3-Penta-1,3-Dienylspiro[6,7-Dihydro-2H-Cyclopenta[G]Isoquinoline-8,2'-Cyclopenta[G]Naphthalene]-1,1',3',5',8'-Pentone; 4',9,9'-Trihydroxy-7'-Methoxy-3-Penta-1,3-Dienyl-Spiro[6,7-Dihydro-2H-Cyclopenta[G]Isoquinoline-8,2'-Cyclopenta[G]Naphthalene]-1,1',3',5',8'-Pentone; Nci60_004532
• Molecular Formula: C₃₀H₂₁NO₉
• Molecular Weight: 539.50
• CAS Registry Number: 80455-68-1
• SMILES: C1=C6C(=C(O)C2=C1C=C(NC2=O)\C=C\C=C\C)C4(C(=O)C3=C(O)C5=C(C(=C3C4=O)O)C(=O)C=C(OC)C5=O)CC6
• InChI: 1S/C30H21NO9/c1-3-4-5-6-14-10-13-9-12-7-8-30(22(12)26(36)17(13)29(39)31-14)27(37)20-21(28(30)38)25(35)19-18(24(20)34)15(32)11-16(40-2)23(19)33/h3-6,9-11,34-36H,7-8H2,1-2H3,(H,31,39)/b4-3+,6-5+
• InChIKey: BZONSJUONOFNNP-VNKDHWASSA-N

Properties

• Density: 1.654g/cm³ (Cal.)
• Boiling point: 1030.142°C at 760 mmHg (Cal.)
• Flash point: 576.809°C (Cal.)