8-氮杂补骨脂素

139595-03-2

MFCD00907625

C41 H64 O13

764.944

InChI=1S/C41H64O13/c1-12-30-36(45)24(4)18-22(2)14-13-15-31(50-10)39(53-40(48)32(51-11)20-23(3)19-25(5)37(30)46)27(7)38(47)28(8)41(49)21-33(26(6)29(9)54-41)52-35(44)17-16-34(42)43/h13-17,19-20,24-31,33,36-39,45-47,49H,12,18,21H2,1-11H3,(H,42,43)/b15-13+,17-16+,22-14+,23-19+,32-20-

InChIKey=FFXNCZHMXIHYJQ-DSRXPEASSA-N

CCC1C(C(C/C(=C/C=C/C(C(OC(=O)/C(=C/C(=C/C(C1O)C)/C)/OC)C(C)C(C(C)C2(CC(C(C(O2)C)C)OC(=O)/C=C/C(=O)O)O)O)OC)/C)C)O

pro_donors:5

pro_acceptors:13

XLogP3:4.0

Bulk/Fine:F