(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-Trihydroxy-11-Methoxy-3,7,12,14,16,18,22-Heptamethyl-6,23,37-Trioxo-8,38-Dioxa-24,27,34-Triazahexacyclo[23.11.1.1^4,7.0^5,36.0^26,35.0^28,33 ]Octatriaconta-1(36),2,4,9,19,21,24,26(35),28,30,32-Undecaen-13-Yl Acetate
[CAS# 10238-70-7]

Identification

• Name: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-Trihydroxy-11-Methoxy-3,7,12,14,16,18,22-Heptamethyl-6,23,37-Trioxo-8,38-Dioxa-24,27,34-Triazahexacyclo[23.11.1.1^4,7.0^5,36.0^26,35.0^28,33 ]Octatriaconta-1(36),2,4,9,19,21,24,26(35),28,30,32-Undecaen-13-Yl Acetate
• Synonyms: 2,7-(Epoxypentadeca(1,11,13)trienimino)benzofuro(4,5-a)phenazine-1,15(2H)-dione, 5,6,21,23,25-pentahydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-, 25-acetate; Rifamycin der.
• Molecular Formula: C₄₃H₄₉N₃O₁₁
• Molecular Weight: 783.86
• CAS Registry Number: 10238-70-7
• SMILES: O=C6c3c4C=2Nc1ccccc1NC=2\C5=N/C(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]([C@H](OC(=O)C)[C@@H]([C@@H](OC)/C=C/O[C@]6(Oc3c(c(O)c4C5=O)C)C)C)C)C
• InChI: 1S/C43H49N3O11/c1-19-13-12-14-20(2)42(53)46-34-33-32(44-26-15-10-11-16-27(26)45-33)29-30(38(34)51)37(50)24(6)40-31(29)41(52)43(8,57-40)55-18-17-28(54-9)21(3)39(56-25(7)47)23(5)36(49)22(4)35(19)48/h10-19,21-23,28,35-36,39,44-45,48-50H,1-9H3/b13-12+,18-17+,20-14-,46-34-/t19-,21+,22+,23+,28-,35-,36+,39+,43-/m0/s1
• InChIKey: WHAAGRVNWJAAQE-PLXMVFPRSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 949.769°C at 760 mmHg (Cal.)
• Flash point: 528.201°C (Cal.)
• Refractive index: 1.638 (Cal.)