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Micheliolide

CAT: 0013-GTR19157545-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157545-02Size:5 mg
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Description
Micheliolide (MCL) is a sesquiterpene lactone which inhibits various inflammatory response.
CAS Number
68370-47-8
Purity
>98% (HPLC)
Solubility
DMSO:49 mg/mL (197.32 mM)
Smiles
[H][C@@]12CCC (C) =C3CC[C@@] (C) (O) [C@]3 ([H]) [C@H]1OC (=O) C2=C
Molecular Formula
C15H20O3
Molecular Weight
248.32
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(3aS9R9aS9bS) -9-Hydroxy-69-dimethyl-3-methylidene-45789a9b-hexahydro-3aH-azuleno[45-b]furan-2-one

Chemical Information

Micheliolide

Micheliolide is a sesquiterpene lactone.

CAS Number68370-47-8
PubChem CID442279
IUPAC Name(3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP1.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity462
SMILES
CC1=C2CC[C@@]([C@@H]2[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)(C)O
InChI
InChI=1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15+/m0/s1
InChIKey
RDJAFOWISVMOJY-PWNZVWSESA-N
Chemical Structure
2D Structure
2D structure of Micheliolide
CAS: 68370-47-8
CID: 442279
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity462
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
AB0378Micheliolide
HY-N0847R-01Micheliolide (Standard)

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