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Chemical structure of Notrilobolide

GC76282

Notrilobolide

Also known as [(3S,3aR,4S,6S,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (E)-2-methylbut-2-enoate

Notrilobolide is an alkaloid with insecticidal properties isolated from sweet potatoes

ChemicalCAS2363714-40-1MW508.56FormulaC26H36O10
CAS number
2363714-40-1
Molecular weight
508.56
Formula
C26H36O10
Solubility
DMSO： 10 mg/mL (19·66 mM; Need ultrasonic and warming)
InChIKey
WEJWYRUDUWBNIB-QIOZMMSPSA-N
Catalogue number
GC76282
Brand
GLPBIO
Computed properties PubChem CID 168679872 · XLogP 1 · TPSA 146 Ų · H-bond donors 2
XLogP
1
TPSA
146 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
36

SMILES CCCC(=O)O[C@H]1C[C@](C2C[C@H](C(=C2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C/C)/C)(C)OC(=O)C

Computed descriptors from PubChem (CID 168679872), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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