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(2E) -Leocarpinolide F

CAT: 0013-GTR19217974-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217974-01Size:5 mg
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Description
(2E) -Leocarpinolide F (Compound 20) is a germacrane-type sesquiterpenoid natural product obtained from Sigesbeckia orientalis. It is employed in research fields including natural product chemistry and pharmacology, with in vitro studies demonstrating potential anti-inflammatory and cytotoxic activities, as reported in scientific articles. This compound aids in exploring sesquiterpenoid functions and therapeutic applications.
CAS Number
2382907-32-4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2E)-Leocarpinolide F
CAS Number2382907-32-4
PubChem CID168432149
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] (E)-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-BVBCGVFISA-N
Chemical Structure
2D Structure
2D structure of (2E)-Leocarpinolide F
CAS: 2382907-32-4
CID: 168432149
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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