Nogalamycin
[CAS# 1404-15-5]

Identification

• Name: Nogalamycin
• Synonyms: Nsc 70845; Nsc70845; U 15167
• Molecular Formula: C₃₉H₄₉NO₁₆
• Molecular Weight: 787.81
• CAS Registry Number: 1404-15-5
• SMILES: [C@@H]2(O)[C@H]1OC3=C([C@](O1)([C@@H]([C@H]2N(C)C)O)C)C=C(C7=C3C(=O)C6=CC4=C([C@H](C[C@@](O)(C)[C@@H]4C(OC)=O)OC5OC(C)C(OC)C(C5OC)(C)OC)C(=C6C7=O)O)O
• InChI: 1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14?,19-,24-,25-,29-,31+,32?,33?,35-,36?,37-,38-,39?/m0/s1
• InChIKey: KGTDRFCXGRULNK-QNQBSKBHSA-N

Properties

• Density: 1.495g/cm³ (Cal.)
• Boiling point: 899.919°C at 760 mmHg (Cal.)
• Flash point: 498.053°C (Cal.)