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Chemical structure of Spinosyn A

GC16082

Spinosyn A

Also known as (1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione

insect nicotinic acetylcholinesterase receptors (nAChRs) agonist and potent insecticide

ChemicalCAS131929-60-7MW732FormulaC41H65NO10
CAS number
131929-60-7
Molecular weight
732
Formula
C41H65NO10
Solubility
DMSO ： 10 mg/mL (13·66 mM; Need ultrasonic)
InChIKey
SRJQTHAZUNRMPR-UYQKXTDMSA-N
Catalogue number
GC16082
Brand
GLPBIO
Computed properties PubChem CID 443059 · XLogP 4.9 · TPSA 111 Ų · H-bond donors 0
XLogP
4.9
TPSA
111 Ų
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
52

SMILES CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C

Computed descriptors from PubChem (CID 443059), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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