Cationomycin
[CAS# 80394-65-6]

Identification

• Name: Cationomycin
• Synonyms: 2-Hydroxy-4-[9-Hydroxy-2-[(4S,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-5-[(1S)-1-Hydroxypropyl]-3,5-Dimethyl-Tetrahydrofuran-2-Yl]-3-Methyl-Tetrahydrofuran-2-Yl]-4-Methoxy-5-Methyl-Tetrahydrofuran-2-Yl]-2,3,8-Trimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-3-(2-Hydroxy-4-Methoxy-6-Methyl-Benzoyl)Oxy-2-Methyl-Butanoic Acid; 2-Hydroxy-4-[9-Hydroxy-2-[(4S,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-5-[(1S)-1-Hydroxypropyl]-3,5-Dimethyl-2-Tetrahydrofuranyl]-3-Methyl-2-Tetrahydrofuranyl]-4-Methoxy-5-Methyl-2-Tetrahydrofuranyl]-2,3,8-Trimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-3-[(2-Hydroxy-4-Methoxy-6-Methylphenyl)-Oxomethoxy]-2-Methylbutanoic Acid; 2-Hydroxy-4-[9-Hydroxy-2-[(4S,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-5-[(1S)-1-Hydroxypropyl]-3,5-Dimethyl-Tetrahydrofuran-2-Yl]-3-Methyl-Tetrahydrofuran-2-Yl]-4-Methoxy-5-Methyl-Tetrahydrofuran-2-Yl]-2,3,8-Trimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-3-(2-Hydroxy-4-Methoxy-6-Methyl-Benzoyl)Oxy-2-Methyl-Butyric Acid
• Molecular Formula: C₄₅H₇₀O₁₅
• Molecular Weight: 851.04
• CAS Registry Number: 80394-65-6
• SMILES: [C@H]2(O[C@@H]([C@H]1O[C@@](C[C@@H]1C)([C@@H](O)CC)C)C[C@@H]2C)[C@]6(OC(C5(OC3(OC(C(C(O)C3)C)CC(OC(=O)C4=C(C=C(OC)C=C4O)C)C(O)(C(=O)O)C)CC5C)C)C[C@@H]6OC)C
• InChI: 1S/C45H70O15/c1-13-32(48)41(7)19-24(4)37(59-41)31-15-23(3)38(55-31)44(10)34(54-12)18-35(58-44)43(9)25(5)20-45(60-43)21-29(47)26(6)30(57-45)17-33(42(8,52)40(50)51)56-39(49)36-22(2)14-27(53-11)16-28(36)46/h14,16,23-26,29-35,37-38,46-48,52H,13,15,17-21H2,1-12H3,(H,50,51)/t23-,24-,25?,26?,29?,30?,31+,32-,33?,34-,35?,37-,38+,41-,42?,43?,44-,45?/m0/s1
• InChIKey: SGLQOFJJLQBZBE-MSFHLGAUSA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 908.727°C at 760 mmHg (Cal.)
• Flash point: 260.306°C (Cal.)