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Chemical structure of Lactupicrin

GC63939

Lactupicrin

Also known as [(3aR,4S,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

Lactupicrin (Lactucopicrin) is a characteristic bitter sesquiterpene lactone that can relieve pain

ChemicalCAS65725-11-3MW410.42FormulaC23H22O7
CAS number
65725-11-3
Molecular weight
410.42
Formula
C23H22O7
Solubility
DMSO ： 250 mg/mL (609·13 mM; Need ultrasonic)
InChIKey
UMVSOHBRAQTGQI-XGARDCMYSA-N
Catalogue number
GC63939
Brand
GLPBIO
Computed properties PubChem CID 174880 · 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
30

SMILES CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO

Computed descriptors from PubChem (CID 174880), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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