Rifampicin Af 013
[CAS# 35225-13-9]

Identification

• Name: Rifampicin Af 013
• Synonyms: 2,7-(Epoxypentadeca(1,11,13)Trienimino)Naphtho(2,1-B)Furan-1,11(2H)-Dione, 3-Formyl-5,6,9,17,19,21-Hexahydroxy-23-Methoxy-2,4,12,16,18,20,22-Heptamethyl-, 21-Acetate, O-Octyloxime; 3-(((Octyloxy)Imino)Methyl)Rifamycin; Brn 5418601
• Molecular Formula: C₄₆H₆₄N₂O₁₃
• Molecular Weight: 853.02
• CAS Registry Number: 35225-13-9
• SMILES: [C@H]1([C@H](O)[C@@H]([C@@H](O)[C@@H](C)\C=C\C=C(C(=O)NC4=C(O)C3=C(C2=C(O[C@](O/C=C/[C@H](OC)[C@H]([C@H]1OC(=O)C)C)(C2=O)C)C(=C3O)C)C(=O)\C4=C\NOCCCCCCCC)\C)C)C
• InChI: 1S/C46H64N2O13/c1-11-12-13-14-15-16-21-59-47-23-31-36-41(54)34-33(40(31)53)35-43(29(7)39(34)52)61-46(9,44(35)55)58-22-20-32(57-10)26(4)42(60-30(8)49)28(6)38(51)27(5)37(50)24(2)18-17-19-25(3)45(56)48-36/h17-20,22-24,26-28,32,37-38,42,47,50-52,54H,11-16,21H2,1-10H3,(H,48,56)/b18-17+,22-20+,25-19-,31-23+/t24-,26+,27+,28+,32-,37-,38+,42+,46-/m0/s1
• InChIKey: LSGAHYYKBYXOGV-ZEMXKUTQSA-N