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Chemical structure of 3'-Ethoxy-5,6-dihydro Spinosyn J 17-pseudoaglycone

GC46587

3'-Ethoxy-5,6-dihydro Spinosyn J 17-pseudoaglycone

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

A degradation product of spinosyn J

ChemicalCAS2055494-09-0MW606.8FormulaC34H54O9
CAS number
2055494-09-0
Molecular weight
606.8
Formula
C34H54O9
InChIKey
XQMXNJMHUPATAK-WGUIIDCHSA-N
Catalogue number
GC46587
Brand
GLPBIO
Computed properties PubChem CID 137700498 · XLogP 4.4 · TPSA 110 Ų · H-bond donors 1
XLogP
4.4
TPSA
110 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
43

SMILES CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H]([C@@H]2CC(=O)O1)CC[C@H]4[C@H]3C[C@@H](C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O

Computed descriptors from PubChem (CID 137700498), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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