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Chemical structure of Avermectin B1a monosaccharide

GC42882

Avermectin B1a monosaccharide

Also known as (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one

Avermectin B1a monosaccharide is a macrolide anthelmintic and monosaccharide form of avermectin B1a

ChemicalCAS71831-09-9MW728.9FormulaC41H60O11
CAS number
71831-09-9
Molecular weight
728.9
Formula
C41H60O11
Solubility
Soluble in DMSO
InChIKey
ZBVWYDMYMRLKIV-OESCZRLOSA-N
Catalogue number
GC42882
Brand
GLPBIO
Computed properties PubChem CID 139598144 · XLogP 3.4 · TPSA 142 Ų · H-bond donors 3
XLogP
3.4
TPSA
142 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
52

SMILES CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)\C)C

Computed descriptors from PubChem (CID 139598144), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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