Fumonisin A1
[CAS# 117415-48-2]

Identification

• Name: Fumonisin A1
• Synonyms: (2R)-2-[2-[(1S,3S,5R,10S,12R,13R)-13-Acetamido-1-[(1R,2R)-1-[(3R)-3-Carboxy-5-Hydroxy-5-Oxo-Pentanoyl]Oxy-2-Methyl-Hexyl]-5,10,12-Trihydroxy-3-Methyl-Tetradecoxy]-2-Oxo-Ethyl]Butanedioic Acid; (2R)-2-[2-[(1S,3S,5R,10S,12R,13R)-13-Acetamido-1-[(1R,2R)-1-[(3R)-3-Carboxy-5-Hydroxy-1,5-Dioxopentoxy]-2-Methylhexyl]-5,10,12-Trihydroxy-3-Methyltetradecoxy]-2-Oxoethyl]Butanedioic Acid; (2R)-2-[2-[(1S,3S,5R,10S,12R,13R)-13-Acetamido-1-[(1R,2R)-1-[(3R)-3-Carboxy-5-Hydroxy-5-Keto-Pentanoyl]Oxy-2-Methyl-Hexyl]-5,10,12-Trihydroxy-3-Methyl-Tetradecoxy]-2-Keto-Ethyl]Succinic Acid
• Molecular Formula: C₃₆H₆₁NO₁₆
• Molecular Weight: 763.88
• CAS Registry Number: 117415-48-2
• SMILES: [C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@H](C[C@H](O)CCCC[C@H](O)C[C@@H](O)[C@H](NC(=O)C)C)C)[C@@H](CCCC)C
• InChI: 1S/C36H61NO16/c1-6-7-10-21(3)34(53-33(47)18-25(36(50)51)16-31(44)45)29(52-32(46)17-24(35(48)49)15-30(42)43)14-20(2)13-26(39)11-8-9-12-27(40)19-28(41)22(4)37-23(5)38/h20-22,24-29,34,39-41H,6-19H2,1-5H3,(H,37,38)(H,42,43)(H,44,45)(H,48,49)(H,50,51)/t20-,21+,22+,24+,25+,26+,27-,28+,29-,34+/m0/s1
• InChIKey: ADACAMXIRQREOB-XUJMDKETSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 984.489°C at 760 mmHg (Cal.)
• Flash point: 549.199°C (Cal.)