Guanidylfungin A
[CAS# 94116-22-0]

Identification

• Name: Guanidylfungin A
• Synonyms: 3-[[(13E,23E)-19-[(E)-1,3-Dimethyl-9-[(N'-Methylcarbamimidoyl)Amino]Non-3-Enyl]-1,3,7,9,11,25,27,29,31,35,36-Undecahydroxy-4,8,12,16,20,24,26-Heptamethyl-17-Oxo-18,37-Dioxabicyclo[31.3.1]Heptatriaconta-13,23-Dien-15-Yl]Oxy]-3-Oxo-Propanoic Acid; 3-[[(13E,2
• Molecular Formula: C₅₈H₁₀₃N₃O₁₈
• Molecular Weight: 1130.46
• CAS Registry Number: 94116-22-0
• SMILES: C(C(C2OC(=O)C(C(OC(=O)CC(O)=O)/C=C/C(C(O)CC(O)C(C(O)CCC(C(O)CC1(OC(CC(O)C1O)CC(O)CC(O)CC(O)C(C(O)C(=C/CCC2C)/C)C)O)C)C)C)C)C)\C(=C\CCCCCNC(N)=NC)C
• InChI: 1S/C58H103N3O18/c1-32(16-13-11-12-14-23-61-57(59)60-10)24-37(6)54-36(5)18-15-17-35(4)53(73)39(8)46(66)27-42(63)25-41(62)26-43-28-48(68)55(74)58(76,79-43)31-49(69)34(3)19-21-44(64)38(7)47(67)29-45(65)33(2)20-22-50(40(9)56(75)78-54)77-52(72)30-51(70)71/h16-
• InChIKey: XORCVXSQCSUFAJ-SMBLPHJASA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 1186.895°C at 760 mmHg (Cal.)
• Flash point: 671.61°C (Cal.)