Heneicomycin
[CAS# 66170-37-4]

Identification

• Name: Heneicomycin
• Synonyms: (2S)-2-[(2S,4S,6S)-2,4-Dihydroxy-5,5-Dimethyl-6-[(1E,3E)-Penta-1,3-Dienyl]Tetrahydropyran-2-Yl]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(2-Hydroxy-1-Methyl-4-Oxo-3-Pyridyl)-6-Methyl-7-Oxo-Hepta-1,3,5-Trienyl]Tetrahydrofuran-2-Yl]-6-Methoxy-5-Methyl-Octa-2,4-Dienyl]Butanamide; (2S)-2-[(2S,4S,6S)-2,4-Dihydroxy-5,5-Dimethyl-6-[(1E,3E)-Penta-1,3-Dienyl]-2-Tetrahydropyranyl]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(2-Hydroxy-1-Methyl-4-Oxo-3-Pyridyl)-6-Methyl-7-Oxohepta-1,3,5-Trienyl]-2-Tetrahydrofuranyl]-6-Methoxy-5-Methylocta-2,4-Dienyl]Butanamide; (2S)-2-[(2S,4S,6S)-2,4-Dihydroxy-5,5-Dimethyl-6-[(1E,3E)-Penta-1,3-Dienyl]Tetrahydropyran-2-Yl]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(2-Hydroxy-4-Keto-1-Methyl-3-Pyridyl)-7-Keto-6-Methyl-Hepta-1,3,5-Trienyl]Tetrahydrofuran-2-Yl]-6-Methoxy-5-Methyl-Octa-2,4-Dienyl]Butyramide
• Molecular Formula: C₄₄H₆₂N₂O₁₁
• Molecular Weight: 794.98
• CAS Registry Number: 66170-37-4
• SMILES: [C@@H]1(O)C([C@@H](O[C@@](O)(C1)[C@H](CC)C(=O)NC/C=C/C=C(/[C@@H](OC)[C@H]([C@@H]2O[C@@H]([C@H](O)[C@@H]2O)\C=C\C=C\C=C(/C)C(=O)C3=C(O)N(C=CC3=O)C)C)C)\C=C\C=C\C)(C)C
• InChI: 1S/C44H62N2O11/c1-10-12-14-22-34-43(6,7)33(48)26-44(54,57-34)30(11-2)41(52)45-24-18-17-20-28(4)39(55-9)29(5)40-38(51)37(50)32(56-40)21-16-13-15-19-27(3)36(49)35-31(47)23-25-46(8)42(35)53/h10,12-23,25,29-30,32-34,37-40,48,50-51,53-54H,11,24,26H2,1-9H3,(H,45,52)/b12-10+,15-13+,18-17+,21-16+,22-14+,27-19+,28-20+/t29-,30-,32-,33+,34+,37+,38+,39-,40+,44+/m1/s1
• InChIKey: KTVMODYFJKQMSD-ZODLGNRVSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 927.537°C at 760 mmHg (Cal.)
• Flash point: 514.756°C (Cal.)