Beta-Rubromycin

• Catalog Number: ACM27267705
• Product Name: Beta-Rubromycin
• CAS: 27267-70-5
• Category: Heterocyclic Organic Compound
• Synonyms: Tunicamycin Viii
• IUPAC Name: methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
• Molecular Weight: 536.45
• Molecular Formula: C27H20O12
• Canonical SMILES: COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)OC4(C3)CCC5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O)OC
• InChI: InChI=1S/C27H20O12/c1-34-13-8-14(35-2)20(29)18-17(13)19(28)12-9-27(39-24(12)22(18)31)5-4-10-6-11-7-15(25(32)36-3)37-26(33)16(11)21(30)23(10)38-27/h6-8,29-30H,4-5,9H2,1-3H3/t27-/m0/s1
• InChI Key: FXCBZGHGMRSWJD-MHZLTWQESA-N
• Boiling Point: 874.8 °C at 760 mmHg (Predicted)
• Flash Point: 298.9 ºC
• Density: 1.67 g/cm3
• Exact Mass: 536.09500
• H-Bond Acceptor: 12
• H-Bond Donor: 2
• Refractive Index: 1.72 (Predicted)