Des-N-Methyl-Pradimicin D
[CAS# 127985-27-7]

Identification

• Name: Des-N-Methyl-Pradimicin D
• Synonyms: Pradimicin E
• Molecular Formula: C₃₈H₄₀N₂O₁₈
• Molecular Weight: 812.74
• CAS Registry Number: 127985-27-7
• SMILES: C1=C7C(=C(O)C4=C1C(O)C(OC3OC(C(N)C(OC2OCC(O)C(O)C2O)C3O)C)C5=CC(=C(C(=C45)O)C(=O)NCC(=O)O)C)C(=O)C6=CC(=CC(=C6C7=O)O)OC
• InChI: 1S/C38H40N2O18/c1-10-4-16-23(30(49)20(10)36(53)40-8-19(43)44)22-14(7-15-24(31(22)50)27(46)13-5-12(54-3)6-17(41)21(13)26(15)45)28(47)34(16)57-38-33(52)35(25(39)11(2)56-38)58-37-32(51)29(48)18(42)9-55-37/h4-7,11,18,25,28-29,32-35,37-38,41-42,47-52H,8-9,39H2,1-3H3,(H,40,53)(H,43,44)
• InChIKey: HELMFNXPQUQJFY-UHFFFAOYSA-N

Properties

• Density: 1.76g/cm³ (Cal.)
• Boiling point: 1130.677°C at 760 mmHg (Cal.)
• Flash point: 637.61°C (Cal.)