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Leocarpinolide F

CAT: 0931-T81941-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T81941-01Size:5 mg
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CAS Number
145042-08-6
Bioactivity
Leocarpinolide F, a sesquiterpenoid naturally derived from Siegesbeckia orientalis [1], exhibits an ability to inhibit (anti-feedant) and demonstrates significant insecticidal activity (toxicity) against plant herbivore pests such as Spodoptera littoralis larvae.
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Leocarpinolide F
CAS Number145042-08-6
PubChem CID102210061
IUPAC Name[(3aS,4S,5S,6E,10E,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC20H24O7
Molecular Weight376.4
XLogP1.1
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity729
SMILES
C/C=C(/C)\C(=O)O[C@H]1[C@@H]2[C@@H](/C=C(\CC/C=C(\[C@@H]1O)/C=O)/CO)OC(=O)C2=C
InChI
InChI=1S/C20H24O7/c1-4-11(2)19(24)27-18-16-12(3)20(25)26-15(16)8-13(9-21)6-5-7-14(10-22)17(18)23/h4,7-8,10,15-18,21,23H,3,5-6,9H2,1-2H3/b11-4-,13-8+,14-7-/t15-,16+,17+,18+/m1/s1
InChIKey
RGDZQGAEJIRTEC-CFHVYGCASA-N
Chemical Structure
2D Structure
2D structure of Leocarpinolide F
CAS: 145042-08-6
CID: 102210061
Formula: C20H24O7
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass376.15220310
Monoisotopic Mass376.15220310
Topological Polar Surface Area110 Ų
Heavy Atom Count27
Formal Charge0
Complexity729
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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