Antibiotic X 206
[CAS# 36505-48-3]

Identification

• Name: Antibiotic X 206
• Synonyms: (2R)-2-[(2S,3S,6R)-6-[(2R,3S)-3-[(5S,6R)-6-[[(2R,3S,5R,6R)-6-[[(5R)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-Ethyl-5-Hydroxy-5-Methyl-Tetrahydropyran-2-Yl]-2-Hydroxy-3,5-Dimethyl-Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-Hydroxy-Methyl]-6-Hydroxy-3,5-Dimethyl-Tetrahydropyran-2-Yl]Methyl]-6-Hydroxy-5-Methyl-Tetrahydropyran-2-Yl]-2-Hydroxy-Butyl]-3-Methyl-Tetrahydropyran-2-Yl]Propanoic Acid; (2R)-2-[(2S,3S,6R)-6-[(2R,3S)-3-[(5S,6R)-6-[[(2R,3S,5R,6R)-6-[[(5R)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-Ethyl-5-Hydroxy-5-Methyl-2-Tetrahydropyranyl]-2-Hydroxy-3,5-Dimethyl-2-Tetrahydrofuranyl]-5-Methyl-2-Tetrahydrofuranyl]-Hydroxymethyl]-6-Hydroxy-3,5-Dimethyl-2-Tetrahydropyranyl]Methyl]-6-Hydroxy-5-Methyl-2-Tetrahydropyranyl]-2-Hydroxybutyl]-3-Methyl-2-Tetrahydropyranyl]Propanoic Acid; (2R)-2-[(2S,3S,6R)-6-[(2R,3S)-3-[(5S,6R)-6-[[(2R,3S,5R,6R)-6-[[(5R)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-Ethyl-5-Hydroxy-5-Methyl-Tetrahydropyran-2-Yl]-2-Hydroxy-3,5-Dimethyl-Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-Hydroxy-Methyl]-6-Hydroxy-3,5-Dimethyl-Tetrahydropyran-2-Yl]Methyl]-6-Hydroxy-5-Methyl-Tetrahydropyran-2-Yl]-2-Hydroxy-Butyl]-3-Methyl-Tetrahydropyran-2-Yl]Propionic Acid
• Molecular Formula: C₄₇H₈₂O₁₄
• Molecular Weight: 871.16
• CAS Registry Number: 36505-48-3
• SMILES: [C@H]1([C@H](CC[C@@H](O1)C[C@H]([C@H](C)C2CC[C@@H]([C@@](O2)(O)C[C@@H]3[C@H](C[C@H]([C@](O3)(O)C(O)C4O[C@](CC4)([C@@]5(O[C@](C[C@H]5C)(C)[C@H]6CC[C@@]([C@@H](O6)CC)(C)O)O)C)C)C)C)O)C)[C@H](C(=O)O)C
• InChI: 1S/C47H82O14/c1-12-37-42(9,52)19-18-38(57-37)43(10)23-29(6)47(55,61-43)44(11)20-17-35(58-44)40(49)46(54)28(5)21-26(3)36(60-46)24-45(53)27(4)14-16-34(59-45)30(7)33(48)22-32-15-13-25(2)39(56-32)31(8)41(50)51/h25-40,48-49,52-55H,12-24H2,1-11H3,(H,50,51)/t25-,26-,27-,28+,29+,30-,31+,32+,33+,34?,35?,36+,37-,38+,39-,40?,42+,43-,44+,45+,46+,47+/m0/s1
• InChIKey: XSBSGLXIQBCTKN-FJPBPKHESA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 927.037°C at 760 mmHg (Cal.)
• Flash point: 260.863°C (Cal.)