4'-O-Demethyldianemycin
[CAS# 80118-77-0]

Identification

• Name: 4'-O-Demethyldianemycin
• Synonyms: Sodium (E)-6-[[(2S,8S,9S)-9-Hydroxy-2-[(2R,4R,7R,9S,10R)-2-[(3S,5R,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-Tetrahydropyran-2-Yl]-9-[(2S,5S,6R)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-8-Yl]Methyl]-2,4-Dimethyl-5-Oxo-Non-6-Enoate; Sodium (E)-6-[[(2S,8S,9S)-9-Hydroxy-2-[(2R,4R,7R,9S,10R)-2-[(3S,5R,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-2-Tetrahydropyranyl]-9-[[(2S,5S,6R)-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-8-Yl]Methyl]-2,4-Dimethyl-5-Oxonon-6-Enoate; Sodium (E)-6-[[(2S,8S,9S)-9-Hydroxy-2-[(2R,4R,7R,9S,10R)-2-[(3S,5R,6R)-6-Hydroxy-3,5-Dimethyl-6-Methylol-Tetrahydropyran-2-Yl]-9-[(2S,5S,6R)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-8-Yl]Methyl]-5-Keto-2,4-Dimethyl-Non-6-Enoate
• Molecular Formula: C₄₆H₇₅NaO₁₄
• Molecular Weight: 875.08
• CAS Registry Number: 80118-77-0
• SMILES: [C@H]4(OC1(O[C@H](C[C@H]1C)C2O[C@](O)([C@@H](C[C@@H]2C)C)CO)[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O)CC3)C)C4)C)[C@]6(OC5(OC[C@@]([C@@H](O)C5)(C\C(C(=O)C(CC(C([O-])=O)C)C)=C/CC)C)CC6)C.[Na+]
• InChI: 1S/C46H76O14.Na/c1-11-12-32(39(50)25(2)17-27(4)41(51)52)21-42(9)24-54-44(22-36(42)49)16-15-43(10,60-44)37-20-34(56-38-14-13-33(48)31(8)55-38)30(7)46(58-37)29(6)19-35(57-46)40-26(3)18-28(5)45(53,23-47)59-40;/h12,25-31,33-38,40,47-49,53H,11,13-24H2,1-10H3,(H,51,52);/q;+1/p-1/b32-12+;/t25?,26-,27?,28+,29+,30+,31+,33-,34-,35+,36-,37+,38+,40?,42-,43-,44?,45-,46?;/m0./s1
• InChIKey: POEFPAGCCFSWBQ-XBIOXLLRSA-M

Properties

• Boiling point: 927°C at 760 mmHg (Cal.)
• Flash point: 264.1°C (Cal.)