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Chemical structure of (2E)-Leocarpinolide F

GC68515

(2E)-Leocarpinolide F

Also known as [(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

(2E)-Leocarpinolide F (Compound 20) is a sesquiterpenoid compound of the eremophilane type, which can be isolated from Sigesbeckia orientalis

ChemicalCAS2382907-32-4MW376.4FormulaC20H24O7
CAS number
2382907-32-4
Molecular weight
376.4
Formula
C20H24O7
InChIKey
RGDZQGAEJIRTEC-BVBCGVFISA-N
Catalogue number
GC68515
Brand
GLPBIO
Computed properties PubChem CID 168432149 · XLogP 1.1 · TPSA 110 Ų · H-bond donors 2
XLogP
1.1
TPSA
110 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27

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

Computed descriptors from PubChem (CID 168432149), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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