Decyano-Saframycin A
[CAS# 75425-66-0]

Identification

• Name: Decyano-Saframycin A
• Synonyms: Propanamide, N-((1,5,6,7,9,10,13,14,14A,15-Decahydro-7-Hydroxy-2,11-Dimethoxy-3,12,16-Trimethyl-1,4,10,13-Tetraoxo-6,15-Imino-4H-Isoquino(3,2-B)(3)Benzazocin-9-Yl)Methyl)-2-Oxo-; Saframycin S
• Molecular Formula: C₂₈H₃₁N₃O₉
• Molecular Weight: 553.57
• CAS Registry Number: 75425-66-0
• SMILES: [C@@H]14N([C@@H]([C@H](O)N2[C@H]1CC3=C([C@@H]2CNC(=O)C(=O)C)C(=O)C(=C(C3=O)C)OC)CC5=C4C(=O)C(=C(C5=O)C)OC)C
• InChI: 1S/C28H31N3O9/c1-10-21(33)13-7-15-20-19-14(22(34)11(2)26(40-6)24(19)36)8-16(30(20)4)28(38)31(15)17(9-29-27(37)12(3)32)18(13)23(35)25(10)39-5/h15-17,20,28,38H,7-9H2,1-6H3,(H,29,37)/t15-,16+,17-,20+,28-/m0/s1
• InChIKey: FKBKETJRCKZDAM-SDBDLDFRSA-N

Properties

• Density: 1.463g/cm³ (Cal.)