alpha-Rubromycin
[CAS# 27267-69-2]

Identification

• Name: alpha-Rubromycin
• Synonyms: Methyl 7,8-Dihydroxy-6-[2-(8-Hydroxy-5,7-Dimethoxy-4,9-Dioxo-Benzo[F]Benzofuran-2-Yl)Ethyl]-1-Oxo-Isochromene-3-Carboxylate; 7,8-Dihydroxy-6-[2-(8-Hydroxy-5,7-Dimethoxy-4,9-Dioxo-2-Benzo[F]Benzofuranyl)Ethyl]-1-Oxo-3-Isochromenecarboxylic Acid Methyl Ester; 7,8-Dihydroxy-6-[2-(8-Hydroxy-4,9-Diketo-5,7-Dimethoxy-Benzo[F]Benzofuran-2-Yl)Ethyl]-1-Keto-Isochromene-3-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₇H₂₀O₁₂
• Molecular Weight: 536.45
• CAS Registry Number: 27267-69-2
• SMILES: C3=C(CCC1=C(C(=C2C(=C1)C=C(OC2=O)C(=O)OC)O)O)OC5=C3C(C4=C(C=C(C(=C4C5=O)O)OC)OC)=O
• InChI: 1S/C27H20O12/c1-35-14-9-15(36-2)22(30)19-18(14)21(29)13-8-12(38-25(13)24(19)32)5-4-10-6-11-7-16(26(33)37-3)39-27(34)17(11)23(31)20(10)28/h6-9,28,30-31H,4-5H2,1-3H3
• InChIKey: LQNGOIZVRFNQLO-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 833.9±65.0°C at 760 mmHg (Cal.)
• Flash point: 458.1±34.3°C (Cal.)