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Lactupicrin

CAT: 0013-GTR19243366-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243366-04Size:10 mg
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Description
Lactupicrin is a characteristic bitter sesquiterpene lactone that can relieve pain. Lactupicrin exhibits atheroprotective effect.
CAS Number
65725-11-3
Purity
>98% (HPLC)
Solubility
DMSO : 250 mg/mL (609.13 mM)
Smiles
OCC ([C@] (C1=C2C) ([H]) [C@] (OC3=O) ([H]) [C@@] (C3=C) ([H]) [C@H] (C2) OC (CC (C=C4) =CC=C4O) =O) =CC1=O
Molecular Formula
C23H22O7
Molecular Weight
410.42
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Lactupicrin

Lactucopicrin is a sesquiterpene lactone obtained by formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with the 8-hydroxy group of lactucin. Found in chicory. It has a role as a sedative, an antimalarial and a plant metabolite. It is a primary alcohol, a member of phenols, a cyclic terpene ketone, a sesquiterpene lactone, an azulenofuran and an enone. It is functionally related to a 4-hydroxyphenylacetic acid and a lactucin.

CAS Number65725-11-3
PubChem CID174880
IUPAC Name[(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
Molecular FormulaC23H22O7
Molecular Weight410.4
XLogP1.1
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity844
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
InChI
InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21-,22-/m0/s1
InChIKey
UMVSOHBRAQTGQI-XGARDCMYSA-N
Chemical Structure
2D Structure
2D structure of Lactupicrin
CAS: 65725-11-3
CID: 174880
Formula: C23H22O7
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass410.13655304
Monoisotopic Mass410.13655304
Topological Polar Surface Area110 Ų
Heavy Atom Count30
Formal Charge0
Complexity844
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N8290-01Lactupicrin
HY-N8290RLactupicrin (Standard)

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