(9E,26E)-26-{[(3-Heptanyloxy)Amino]Methylene}-2,15,17,29-Tetrahydroxy-11-Methoxy-3,7,12,14,16,18,22-Heptamethyl-6,23,27-Trioxo-8,30-Dioxa-24-Azatetracyclo[23.3.1.1^4,7.0^5,28]Triaconta-1(28),2,4,9,1 9,21,25(29)-Heptaen-13-Yl Acetate
[CAS# 41887-57-4]

Identification

• Name: (9E,26E)-26-{[(3-Heptanyloxy)Amino]Methylene}-2,15,17,29-Tetrahydroxy-11-Methoxy-3,7,12,14,16,18,22-Heptamethyl-6,23,27-Trioxo-8,30-Dioxa-24-Azatetracyclo[23.3.1.1^4,7.0^5,28]Triaconta-1(28),2,4,9,1 9,21,25(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-(hept-3-yl)oxime; 3-Formylrifamycin SV O-(hept-3-yl)oxime; BRN 5418481
• Molecular Formula: C₄₅H₆₂N₂O₁₃
• Molecular Weight: 838.98
• CAS Registry Number: 41887-57-4
• 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(CC)CCCC)=C(\O)c2c(O)c(c4O3)C)C)C)C)C
• InChI: 1S/C45H62N2O13/c1-12-14-18-29(13-2)60-46-21-30-35-40(53)33-32(39(30)52)34-42(27(8)38(33)51)59-45(10,43(34)54)57-20-19-31(56-11)24(5)41(58-28(9)48)26(7)37(50)25(6)36(49)22(3)16-15-17-23(4)44(55)47-35/h15-17,19-22,24-26,29,31,36-37,41,46,49-51,53H,12-14,18H2,1-11H3,(H,47,55)/b16-15+,20-19+,23-17+,30-21+
• InChIKey: XWULADBVZZODJJ-AOBKLAFGSA-N

Properties

• Density: 1.281g/cm³ (Cal.)