Citreamicin zeta
[CAS# 128969-89-1]

Identification

• Name: Citreamicin zeta
• Synonyms: Butanoic Acid, 3-Methyl-, (1,2,3A,4,8,14,15,17-Octahydro-12-Hydroxy-11-Methoxy-1,3A-Dimethyl-2,8,14,15,17-Pentaoxo(1)Benzopyrano(2',3':6,7)Naphth(2,1-G)Oxazolo(3,2-B)Isoquinolin-1-Yl)Methyl Ester; Citreamicin Zeta; Ll E19085 Zeta
• Molecular Formula: C₃₅H₂₉NO₁₂
• Molecular Weight: 655.61
• CAS Registry Number: 128969-89-1
• SMILES: C1=C4C(=CC2=C1C(C3(N(C2=O)C(COC(CC(C)C)=O)(C(O3)=O)C)C)O)C5=C(C=C4)C(C7=C(C5=O)C(C6=CC(=C(C=C6O7)OC)O)=O)=O
• InChI: 1S/C35H29NO12/c1-14(2)8-24(38)46-13-34(3)33(44)48-35(4)31(42)18-9-15-6-7-16-25(17(15)10-19(18)32(43)36(34)35)29(41)26-27(39)20-11-21(37)23(45-5)12-22(20)47-30(26)28(16)40/h6-7,9-12,14,31,37,42H,8,13H2,1-5H3
• InChIKey: TUPDRFUSBGIQLD-UHFFFAOYSA-N

Properties

• Density: 1.584g/cm³ (Cal.)
• Boiling point: 895.871°C at 760 mmHg (Cal.)
• Flash point: 495.605°C (Cal.)