Ortataxel

186348-23-2

MFCD09837792

C44 H57 N O17

871.924

InChI=1S/C44H57NO17/c1-20(2)17-25(45-38(53)61-40(6,7)8)29(49)37(52)57-30-21(3)28-31(56-22(4)46)33(50)42(11)26(48)18-27-43(19-55-27,60-23(5)47)32(42)35(58-36(51)24-15-13-12-14-16-24)44(41(28,9)10)34(30)59-39(54)62-44/h12-16,20,25-27,29-32,34-35,48-49H,17-19H2,1-11H3,(H,45,53)/t25-,26-,27+,29+,30+,31+,32+,34-,35-,42+,43-,44+/m0/s1

InChIKey=BWKDAMBGCPRVPI-VBNCQXPWSA-N

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@@H]3[C@@H]([C@@]5(C2(C)C)[C@H]([C@@H]1OC(=O)[C@@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)OC(=O)C

pro_donors:3

pro_acceptors:18

XLogP3:2.0

Bulk/Fine:F