(8S-(8alpha,9alpha,14alpha,17S*,18R*))-5,8,9,14,15,16-Hexahydro-1,4,6,17-Tetrahydroxy-20-Methoxy-18-Methyl-5,16-Dioxo-9,8,14-(1)Buten(1)Yl(4)Ylideneanthra(1,2-b)Benz(f)Azocine-19-Carboxylic Acid
[CAS# 129985-03-1]

Identification

• Name: (8S-(8alpha,9alpha,14alpha,17S*,18R*))-5,8,9,14,15,16-Hexahydro-1,4,6,17-Tetrahydroxy-20-Methoxy-18-Methyl-5,16-Dioxo-9,8,14-(1)Buten(1)Yl(4)Ylideneanthra(1,2-b)Benz(f)Azocine-19-Carboxylic Acid
• Synonyms: Dynemicin H
• Molecular Formula: C₃₀H₂₃NO₉
• Molecular Weight: 541.51
• CAS Registry Number: 129985-03-1
• SMILES: C1=C(O)C6=C(C2=C1C3C4(O)C(N2)C5=C(C3C(=C(C4C)C(=O)O)OC)C=CC=C5)C(=O)C7=C(C6=O)C(=CC=C7O)O
• InChI: 1S/C30H23NO9/c1-10-17(29(37)38)27(40-2)18-11-5-3-4-6-12(11)28-30(10,39)23(18)13-9-16(34)21-22(24(13)31-28)26(36)20-15(33)8-7-14(32)19(20)25(21)35/h3-10,18,23,28,31-34,39H,1-2H3,(H,37,38)
• InChIKey: SUMIBTQDHCFPDZ-UHFFFAOYSA-N

Properties

• Density: 1.736g/cm³ (Cal.)
• Boiling point: 835.258°C at 760 mmHg (Cal.)
• Flash point: 458.948°C (Cal.)