3-Formyl-5,6,9,17,19,21-Hexahydroxy-23-Methoxy-2,4,12,16,18,20,22-Heptamethyl-2,7-(Epoxypentadeca(1,11,13)Trienimino)Naphtho(2,1-b)Furan-1,11(2H)-Dione 21-Acetate O-Nonyloxime
[CAS# 38850-20-3]

Identification

• Name: 3-Formyl-5,6,9,17,19,21-Hexahydroxy-23-Methoxy-2,4,12,16,18,20,22-Heptamethyl-2,7-(Epoxypentadeca(1,11,13)Trienimino)Naphtho(2,1-b)Furan-1,11(2H)-Dione 21-Acetate O-Nonyloxime
• Synonyms: 3-[[(Nonyloxy)Imino]Methyl]Rifamycin; Af-021; Aids-009614
• Molecular Formula: C₄₇H₆₆N₂O₁₃
• Molecular Weight: 867.04
• CAS Registry Number: 38850-20-3
• 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\NOCCCCCCCCC)\C)C)C
• InChI: 1S/C47H66N2O13/c1-11-12-13-14-15-16-17-22-60-48-24-32-37-42(55)35-34(41(32)54)36-44(30(7)40(35)53)62-47(9,45(36)56)59-23-21-33(58-10)27(4)43(61-31(8)50)29(6)39(52)28(5)38(51)25(2)19-18-20-26(3)46(57)49-37/h18-21,23-25,27-29,33,38-39,43,48,51-53,55H,11-17,22H2,1-10H3,(H,49,57)/b19-18+,23-21+,26-20-,32-24+/t25-,27+,28+,29+,33-,38-,39+,43+,47-/m0/s1
• InChIKey: OJZGPZSVTDBVRR-AHFFHDRZSA-N