ERYTHROMYCIN 2'-(3-(2-FURYL)ACRYLATE)

60847-78-1

MFCD01729132

C44 H71 N O15

854.037

InChI=1S/C44H71NO15/c1-14-31-44(10,52)37(48)25(4)34(47)23(2)21-42(8,51)39(26(5)35(27(6)40(50)57-31)59-33-22-43(9,53-13)38(49)28(7)56-33)60-41-36(30(45(11)12)20-24(3)55-41)58-32(46)18-17-29-16-15-19-54-29/h15-19,23-28,30-31,33,35-39,41,48-49,51-52H,14,20-22H2,1-13H3/b18-17+/t23-,24-,25+,26+,27-,28+,30+,31-,33+,35+,36-,37-,38+,39-,41+,42-,43-,44-/m1/s1

InChIKey=YGDJFKCONDDVSL-GMQSALPYSA-N

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)/C=C/c4ccco4)(C)O)C)C)O)(C)O

氢键供体数量:4

氢键受体数量:16

XLogP3:2.0

Bulk/Fine:F