葫芦素

7257-29-6

MFCD01745867

C42 H52 N4 O2

644.899

InChI=1S/C42H52N4O2/c1-5-25-23-45(3)17-15-39-21-27-11-8-10-14-32(27)44-38-36-30-20-34-40(16-18-46(34,4)24-26(30)6-2)22-28-12-7-9-13-31(28)43(42(36,40)48)37(38)35(41(39,44)47)29(25)19-33(39)45/h5-14,29-30,33-38,47-48H,15-24H2,1-4H3/q+2/b25-5-,26-6-/t29-,30-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,45?,46?/m0/s1

InChIKey=WMAARYDWTZONIK-WZIFSCQFSA-N

C/C=C\1/C[N+]2(CC[C@@]34[C@@H]2C[C@@H]1[C@H]5[C@@]3(N(c6ccccc6C4)[C@H]7[C@@H]5N8c9ccccc9C[C@@]12[C@@]8([C@@H]7[C@H]\3C[C@@H]1[N+](CC2)(C/C3=C/C)C)O)O)C

氢键供体数量:2

氢键受体数量:6

XLogP3:9.0

Bulk/Fine:F