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Notrilobolide

CAT: 0013-GTR19230061-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230061-02Size:5 mg
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Description
Notrilobolide is a sweet potato-derived alkaloid with insecticidal activity, disrupting larval development in pests like Tribolium castaneum. It is used in research on insect physiology, particularly for studying mechanisms of reduced fecundity and impaired digestion in both in vivo and in vitro models.
CAS Number
2363714-40-1
Field of Research
Infectious Disease & Virology
Smiles
O[C@@]12[C@] (C=3C ([C@] (OC (C) =O) (C) C[C@@H]1OC (CCC) =O) (C[C@@H] (OC (/C (=C/C) /C) =O) C3C) [H]) (OC (=O) [C@@]2 (C) O) [H]
Molecular Formula
C26H36O10
Molecular Weight
508.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Notrilobolide
CAS Number2363714-40-1
PubChem CID168679872
IUPAC Name[(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
Molecular FormulaC26H36O10
Molecular Weight508.6
XLogP1
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity1030
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
InChI
InChI=1S/C26H36O10/c1-8-10-19(28)34-18-12-24(6,36-15(5)27)16-11-17(33-22(29)13(3)9-2)14(4)20(16)21-26(18,32)25(7,31)23(30)35-21/h9,16-18,21,31-32H,8,10-12H2,1-7H3/b13-9+/t16?,17-,18+,21+,24+,25-,26-/m1/s1
InChIKey
WEJWYRUDUWBNIB-QIOZMMSPSA-N
Chemical Structure
2D Structure
2D structure of Notrilobolide
CAS: 2363714-40-1
CID: 168679872
Formula: C26H36O10
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass508.23084734
Monoisotopic Mass508.23084734
Topological Polar Surface Area146 Ų
Heavy Atom Count36
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5821649Notrilobolide

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