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Chemical structure of Spinosyn A 17-pseudoaglycone

GC40204

Spinosyn A 17-pseudoaglycone

Also known as (1S,2R,5S,7R,9R,10S,14R,15S,19S)-19-ethyl-15-hydroxy-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

Spinosyn A 17-pseudoaglycone is a pseudoaglycone form of the macrocyclic lactone insecticide spinosyn A

ChemicalCAS131929-68-5MW590.7FormulaC33H50O9
CAS number
131929-68-5
Molecular weight
590.7
Formula
C33H50O9
Solubility
Soluble in DMSO
InChIKey
KSCLXDPNSMLYPU-YDZPRSSASA-N
Catalogue number
GC40204
Brand
GLPBIO
Computed properties PubChem CID 11767113 · XLogP 3.4 · TPSA 110 Ų · H-bond donors 1
XLogP
3.4
TPSA
110 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
42

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

Computed descriptors from PubChem (CID 11767113), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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