(9E,26E)-2,15,17,29-Tetrahydroxy-11-Methoxy-3,7,12,14,16,18,22-Heptamethyl-26-{[(4-Octanyloxy)Amino]Methylene}-6,23,27-Trioxo-8,30-Dioxa-24-Azatetracyclo[23.3.1.1^4,7.0^5,28]Triaconta-1(28),2,4,9,19 ,21,25(29)-Heptaen-13-Yl Acetate
[CAS# 41776-72-1]

Identification

• Name: (9E,26E)-2,15,17,29-Tetrahydroxy-11-Methoxy-3,7,12,14,16,18,22-Heptamethyl-26-{[(4-Octanyloxy)Amino]Methylene}-6,23,27-Trioxo-8,30-Dioxa-24-Azatetracyclo[23.3.1.1^4,7.0^5,28]Triaconta-1(28),2,4,9,19 ,21,25(29)-Heptaen-13-Yl Acetate
• 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-(oct-4-yl)oxime; 3-Formylrifamycin SV O-(oct-4-yl)oxime
• Molecular Formula: C₄₆H₆₄N₂O₁₃
• Molecular Weight: 853.01
• CAS Registry Number: 41776-72-1
• SMILES: O=C/1c2c4C(=O)C3(O/C=C/C(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(O)C(/C=C\C=C(/C(=O)NC(/C\1=C\NOC(CCC)CCCC)=C(\O)c2c(O)c(c4O3)C)C)C)C)C
• InChI: 1S/C46H64N2O13/c1-12-14-19-30(16-13-2)61-47-22-31-36-41(54)34-33(40(31)53)35-43(28(8)39(34)52)60-46(10,44(35)55)58-21-20-32(57-11)25(5)42(59-29(9)49)27(7)38(51)26(6)37(50)23(3)17-15-18-24(4)45(56)48-36/h15,17-18,20-23,25-27,30,32,37-38,42,47,50-52,54H,12-14,16,19H2,1-11H3,(H,48,56)/b17-15+,21-20+,24-18+,31-22+
• InChIKey: NCENXYAXSXKXSM-NALRSIRSSA-N

Properties

• Density: 1.271g/cm³ (Cal.)