[(2R,3S,4R,5R,6S)-5-Acetamido-4-[1-[[(2S)-1-[[(2R)-5-Amino-1-Methoxy-1,5-Dioxopentan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-1-Oxopropan-2-Yl]Oxy-3,6-Dihydroxyoxan-2-Yl]Methyl 10-(4,5-Dimethoxy-2-Methyl-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)Decanoate
[CAS# 72921-52-9]

Identification

• Name: [(2R,3S,4R,5R,6S)-5-Acetamido-4-[1-[[(2S)-1-[[(2R)-5-Amino-1-Methoxy-1,5-Dioxopentan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-1-Oxopropan-2-Yl]Oxy-3,6-Dihydroxyoxan-2-Yl]Methyl 10-(4,5-Dimethoxy-2-Methyl-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)Decanoate
• Synonyms: 10-(4,5-Dimethoxy-2-Methyl-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)Decanoic Acid [(2R,3S,4R,5R,6S)-5-Acetamido-4-[2-[[(1S)-1-[[[(1R)-4-Amino-1-Methoxycarbonyl-4-Oxobutyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-1-Methyl-2-Oxoethoxy]-3,6-Dihydroxy-2-Tetrahydropyranyl]Methyl Ester; 10-(3,6-Diketo-4,5-Dimethoxy-2-Methyl-1-Cyclohexa-1,4-Dienyl)Capric Acid [(2R,3S,4R,5R,6S)-5-Acetamido-4-[2-[[(1S)-1-[[(1R)-4-Amino-1-Carbomethoxy-4-Keto-Butyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-1-Methyl-Ethoxy]-3,6-Dihydroxy-Tetrahydropyran-2-Yl]Methyl Ester; [(2R,3S,4R,5R,6S)-5-Acetamido-4-[2-[[(1S)-1-[[(1R)-4-Amino-1-Methoxycarbonyl-4-Oxo-Butyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-Methyl-2-Oxo-Ethoxy]-3,6-Dihydroxy-Tetrahydropyran-2-Yl]Methyl 10-(4,5-Dimethoxy-2-Methyl-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)Decanoate
• Molecular Formula: C₄₁H₆₄N₄O₁₆
• Molecular Weight: 868.97
• CAS Registry Number: 72921-52-9
• SMILES: [C@@H]1(OC(C(=O)N[C@H](C(=O)N[C@@H](C(OC)=O)CCC(=O)N)C(C)C)C)[C@@H](NC(=O)C)[C@H](O[C@@H]([C@H]1O)COC(=O)CCCCCCCCCC2=C(C(=O)C(=C(OC)C2=O)OC)C)O
• InChI: 1S/C41H64N4O16/c1-21(2)30(39(53)44-26(40(54)58-8)18-19-28(42)47)45-38(52)23(4)60-35-31(43-24(5)46)41(55)61-27(34(35)51)20-59-29(48)17-15-13-11-9-10-12-14-16-25-22(3)32(49)36(56-6)37(57-7)33(25)50/h21,23,26-27,30-31,34-35,41,51,55H,9-20H2,1-8H3,(H2,42,47)(H,43,46)(H,44,53)(H,45,52)/t23?,26-,27-,30+,31-,34-,35-,41+/m1/s1
• InChIKey: CWERSTOLSLTDNS-NICFXMIKSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 1096.652°C at 760 mmHg (Cal.)
• Flash point: 617.033°C (Cal.)