Acetylkidamycin
[CAS# 39293-24-8]

Identification

• Name: Acetylkidamycin
• Synonyms: [(2S,3S,4S,6R)-6-[(12R)-12-Acetoxy-8-[(2R,4R,5S,6R)-5-Acetoxy-4-Dimethylamino-6-Methyl-Tetrahydropyran-2-Yl]-11-Hydroxy-12-Methoxy-5-Methyl-2-[(E)-1-Methylprop-1-Enyl]-4,7-Dioxo-Naphtho[6,7-H]Chromen-10-Yl]-4-Dimethylamino-2,4-Dimethyl-Tetrahydropyran-3-Yl] Acetate; Acetic Acid [(2S,3S,4S,6R)-6-[(12R)-12-Acetoxy-8-[(2R,4R,5S,6R)-5-Acetoxy-4-Dimethylamino-6-Methyl-2-Tetrahydropyranyl]-11-Hydroxy-12-Methoxy-5-Methyl-2-[(E)-1-Methylprop-1-Enyl]-4,7-Dioxo-10-Naphtho[6,7-H]Chromenyl]-4-Dimethylamino-2,4-Dimethyl-3-Tetrahydropyranyl] Ester; Acetic Acid [(2S,3S,4S,6R)-6-[(12R)-12-Acetoxy-8-[(2R,4R,5S,6R)-5-Acetoxy-4-Dimethylamino-6-Methyl-Tetrahydropyran-2-Yl]-11-Hydroxy-4,7-Diketo-12-Methoxy-5-Methyl-2-[(E)-1-Methylprop-1-Enyl]Naphtho[6,7-H]Chromen-10-Yl]-4-Dimethylamino-2,4-Dimethyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₄₆H₅₈N₂O₁₃
• Molecular Weight: 846.97
• CAS Registry Number: 39293-24-8
• SMILES: [C@]3(C2=C1OC(=CC(C1=C(C=C2C(C5=C3C(=C([C@H]4C[C@@]([C@@H]([C@@H](O4)C)OC(=O)C)(N(C)C)C)C=C5[C@@H]6O[C@@H]([C@H]([C@@H](C6)N(C)C)OC(=O)C)C)O)=O)C)=O)C(=C/C)/C)(OC(=O)C)OC
• InChI: 1S/C46H58N2O13/c1-15-21(2)33-19-32(52)36-22(3)16-30-38(43(36)60-33)46(55-14,61-27(8)51)39-37(40(30)53)28(34-18-31(47(10)11)42(23(4)56-34)58-25(6)49)17-29(41(39)54)35-20-45(9,48(12)13)44(24(5)57-35)59-26(7)50/h15-17,19,23-24,31,34-35,42,44,54H,18,20H2,1-14H3/b21-15+/t23-,24+,31-,34-,35-,42-,44-,45+,46+/m1/s1
• InChIKey: XYJIEMFSVFBJNI-UYPDPXRBSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 838.554°C at 760 mmHg (Cal.)
• Flash point: 460.941°C (Cal.)