乙酰腈,(4-甲酰基苯氧基)-

464-81-3

MFCD01740825

C40 H60 N4 O10

756.932

InChI=1S/C40H60N4O10/c1-24(45)53-31-22-40(51)29-14-13-26-21-27(16-18-38(26,2)28(29)17-19-39(40,3)35(31)25-12-15-34(49)52-23-25)54-36(50)30(9-8-20-43-37(41)42)44-32(46)10-6-4-5-7-11-33(47)48/h12,15,23,26-31,35,51H,4-11,13-14,16-22H2,1-3H3,(H,44,46)(H,47,48)(H4,41,42,43)/t26-,27+,28+,29-,30+,31+,35+,38+,39-,40+/m1/s1

InChIKey=DKAWEPORCGVQCP-JBXNKDOXSA-N

CC(=O)O[C@H]1C[C@@]2([C@@H]3CC[C@@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1c5ccc(=O)oc5)C)C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCCC(=O)O)O

pro_donors:6

pro_acceptors:14

XLogP3:0.0

Bulk/Fine:F