9-Deoxy-9-Oxoleucomycin V 3-Acetate 4''-O-(3-Methylbutanoate)
[CAS# 21238-30-2]

Identification

• Name: 9-Deoxy-9-Oxoleucomycin V 3-Acetate 4''-O-(3-Methylbutanoate)
• Synonyms: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,11E,13E,16R)-4-Acetoxy-5-Methoxy-9,16-Dimethyl-2,10-Dioxo-7-(2-Oxoethyl)-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyl-Tetrahydropyran-3-Yl] 3-Methylbutanoate Hydrochloride; 3-Methylbutanoic Acid [(2S,3S,4R,6S)-6-[[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,11E,13E,16R)-4-Acetoxy-5-Methoxy-9,16-Dimethyl-2,10-Dioxo-7-(2-Oxoethyl)-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-3-Tetrahydropyranyl]Oxy]-4-Hydroxy-2,4-Dimethyl-3-Tetrahydropyranyl] Ester Hydrochloride; 3-Methylbutyric Acid [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,11E,13E,16R)-4-Acetoxy-2,10-Diketo-7-(2-Ketoethyl)-5-Methoxy-9,16-Dimethyl-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyl-Tetrahydropyran-3-Yl] Ester Hydrochloride
• Molecular Formula: C₄₂H₆₈ClNO₁₅
• Molecular Weight: 862.45
• CAS Registry Number: 21238-30-2
• SMILES: [C@H]3(N(C)C)[C@H](O[C@@H]1O[C@H]([C@H](OC(=O)CC(C)C)[C@](O)(C1)C)C)[C@H](O[C@@H](O[C@H]2[C@H](C[C@@H](C)C(=O)\C=C\C=C\C[C@H](OC(=O)C[C@@H](OC(=O)C)[C@@H]2OC)C)CC=O)[C@@H]3O)C.[H+].[Cl-]
• InChI: 1S/C42H67NO15.ClH/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45;/h12-14,16,18,23-27,29,31,34-41,49-50H,15,17,19-22H2,1-11H3;1H/b13-12+,16-14+;/t24-,25-,26-,27+,29+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-;/m1./s1
• InChIKey: IJCYICVVWRRLKC-NFOLVDNTSA-N