Citreamicin beta
[CAS# 128999-30-4]

Identification

• Name: Citreamicin beta
• Synonyms: (1,2,3A,4,8,14,15,17-Octahydro-16-Hydroxy-11,12-Dimethoxy-1,3A-Dimethyl-2,8,14,15,17-Pentaoxo(1)Benzopyran(2',3':6,7)Naphth(2,1-G)Oxazolo(3,2-B)Isoquinolin-1-Yl)Methyl 2-Methylpropanoate; Citreamicin Beta; Ll E19085beta
• Molecular Formula: C₃₅H₂₉NO₁₂
• Molecular Weight: 655.61
• CAS Registry Number: 128999-30-4
• SMILES: C1=C4C(=C(C2=C1CC3(N(C2=O)C(COC(C(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)OC)=O)=O
• InChI: 1S/C35H29NO12/c1-14(2)32(42)46-13-34(3)33(43)48-35(4)12-16-9-15-7-8-17-24(22(15)28(39)23(16)31(41)36(34)35)29(40)25-26(37)18-10-20(44-5)21(45-6)11-19(18)47-30(25)27(17)38/h7-11,14,39H,12-13H2,1-6H3
• InChIKey: ZUZCCBDSIBRLQK-UHFFFAOYSA-N

Properties

• Density: 1.555g/cm³ (Cal.)
• Boiling point: 883.204°C at 760 mmHg (Cal.)
• Flash point: 487.944°C (Cal.)