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Chemical structure of Eupalinolide K

GC36016

Eupalinolide K

Also known as [(3aR,4S,6Z,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate

Eupalinolide K, a sesquiterpene lactones compound from Eupatorium lindleyanum, is a STAT3 inhibitor· Eupalinolide K is a Michael reaction acceptor (MRA)

ChemicalCAS108657-10-9MW362.42FormulaC20H26O6
CAS number
108657-10-9
Molecular weight
362.42
Formula
C20H26O6
Solubility
Soluble in DMSO
InChIKey
APOGLVUGPAVNAP-OPNIFLOASA-N
Catalogue number
GC36016
Brand
GLPBIO
Computed properties PubChem CID 102004412 · XLogP 1.3 · TPSA 93.1 Ų · H-bond donors 2
XLogP
1.3
TPSA
93.1 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26

SMILES C/C/1=C/C[C@@H](/C(=C/[C@@H]2[C@@H]([C@H](C1)OC(=O)/C(=C/CO)/C)C(=C)C(=O)O2)/C)O

Computed descriptors from PubChem (CID 102004412), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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