IUPAC name
(6R,23E,25S)-5-O-demethyl-28-deoxy-25-[(1E)-1,3-dimethyl-1-butenyl]-6,28-epoxy-23-(methoxyimino)milbemycin B
SMILES
CC(C)/C=C(\C)/[C@@H]1[C@@H](C)/C(=N/OC)/C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)/C[C@@H](C)/C=C/C=C/4\CO[C@@H]5[C@@H](C(=C[C@@H](C(=O)O3)[C@]45O)C)O)O2)O1
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
moxidectin
IUPAC name
(6R,23E,25S)-5-O-demethyl-28-deoxy-25-[(1E)-1,3-dimethyl-1-butenyl]-6,28-epoxy-23-(methoxyimino)milbemycin B
SMILES
CC(C)/C=C(\C)/[C@@H]1[C@@H](C)/C(=N/OC)/C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)/C[C@@H](C)/C=C/C=C/4\CO[C@@H]5[C@@H](C(=C[C@@H](C(=O)O3)[C@]45O)C)O)O2)O1
INCHI
InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1
FORMULA
C37H53NO8
Common name
moxidectin
IUPAC name
(6R,23E,25S)-5-O-demethyl-28-deoxy-25-[(1E)-1,3-dimethyl-1-butenyl]-6,28-epoxy-23-(methoxyimino)milbemycin B
Molecular weight
639.819
clogP
4.157
clogS
-4.372
HBond Acceptor
9
HBond Donor
2
Total Polar Surface Area
116.04
Number of Rings
5
Rotatable Bond
3
