Leurubicin
[CAS 70774-25-3]

Identification

• Name: Leurubicin
• Synonyms: (2S)-2-Amino-N-[(2S,3S,4S,6R)-3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxyacetyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]Tetrahydropyran-4-Yl]-4-Methyl-Pentanamide; (2S)-2-Amino-N-[(2S,3S,4S,6R)-3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxy-1-Oxoethyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-4-Tetrahydropyranyl]-4-Methylpentanamide; (2S)-2-Amino-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]-4-Methyl-Valeramide
• Molecular Formula: C₃₃H₄₀N₂O₁₂
• Molecular Weight: 656.69
• CAS Registry Number: 70774-25-3
• SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@@H](O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C1)C)C2=C(O)C4=C(C(=C2C[C@](O)(C3)C(=O)CO)O)C(=O)C5=C(C4=O)C(=CC=C5)OC
• InChI: 1S/C33H40N2O12/c1-13(2)8-17(34)32(43)35-18-9-22(46-14(3)27(18)38)47-20-11-33(44,21(37)12-36)10-16-24(20)31(42)26-25(29(16)40)28(39)15-6-5-7-19(45-4)23(15)30(26)41/h5-7,13-14,17-18,20,22,27,36,38,40,42,44H,8-12,34H2,1-4H3,(H,35,43)/t14-,17-,18-,20-,22-,27+,33-/m0/s1
• InChIKey: HROXIDVVXKDCBD-ZUWKMVCBSA-N

Properties

• Density: 1.499g/cm³ (Cal.)
• Boiling point: 916.231°C at 760 mmHg (Cal.)
• Flash point: 507.918°C (Cal.)