Malolactomycin A
[CAS# 135667-47-9]

Identification

• Name: Malolactomycin A
• Synonyms: malolactomycin A
• Molecular Formula: C₆₃H₁₁₁N₃O₂₀
• Molecular Weight: 1230.56
• CAS Registry Number: 135667-47-9
• SMILES: CN/C(=N\C)NCCCCC\C=C(/C)CC(C)C1OC(=O)C(C)C(O)C(\C)=C\CC(O)C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(CC(O)CC(O)CC(O)C(C)C(O)\C=C\C=C\C1C)OC(=O)CC(O)=O)CC(O)C2O
• InChI: 1S/C63H111N3O20/c1-35(18-14-12-13-17-25-66-62(64-10)65-11)26-39(5)59-38(4)19-15-16-20-48(69)40(6)51(72)29-45(68)27-44(67)28-46(84-57(79)33-56(77)78)30-47-31-54(75)60(81)63(83,86-47)34-55(76)36(2)21-23-49(70)41(7)52(73)32-53(74)42(8)50(71)24-22-37(3)58(80)43(9)61(82)85-59/h15-16,18-20,22,36,38-55,58-60,67-76,80-81,83H,12-14,17,21,23-34H2,1-11H3,(H,77,78)(H2,64,65,66)/b19-15+,20-16+,35-18+,37-22+
• InChIKey: HCSHWQXRBDBMGW-YBWDQPBGSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 1245.038°C at 760 mmHg (Cal.)
• Flash point: 706.774°C (Cal.)
• Refractive index: 1.563 (Cal.)