3'-O-DECARBAMOYLIRUMAMYCIN

99486-52-9

MFCD01675296

C40 H64 O11

720.935

InChI=1S/C40H64O11/c1-10-31(42)39(9)38(51-39)26(6)19-25(5)37-27(7)34(44)22(2)15-16-29(48-33-20-30(41)35(45)28(8)47-33)14-12-11-13-23(3)36-24(4)17-18-40(46,50-36)21-32(43)49-37/h13,15-17,22,25-30,33-38,41,44-46H,10-12,14,18-21H2,1-9H3/b16-15+,23-13+/t22-,25+,26+,27+,28+,29+,30+,33-,34?,35+,36+,37+,38-,39+,40+/m0/s1

InChIKey=AROPDQZOMIITCK-SXCUZKESSA-N

CCC(=O)[C@@]1([C@@H](O1)[C@H](C)C[C@@H](C)[C@@H]2[C@@H](C([C@H](/C=C/[C@@H](CCC/C=C(/[C@@H]3C(=CC[C@@](O3)(CC(=O)O2)O)C)\C)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O)C)O)C)C

H bond donor:4

H bond acceptor:11

XLogP3:4.0

Bulk/Fine:F