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Parthenolide

CAT: 0498-bs-75221C-03Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75221C-03Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20554-84-1
Conjugation
Unconjugated
Purity
>98% (HPLC)
Buffer
Solid
Solubility
Soluble in DMSO, ethanol or dichloromethane. Insoluble in water.
Smiles
C\C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
Molecular Formula
C15H20O3
Molecular Weight
248.3
Storage Conditions
Stable for 2 years after receipt when stored at +4°C.
Appearance
White to light green solid.

Chemical Information

Parthenolide

(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one is a germacranolide.

CAS Number20554-84-1
PubChem CID6473881
IUPAC Name(1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP2.3
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity437
SMILES
C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
InChI
InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1
InChIKey
KTEXNACQROZXEV-SLXBATTESA-N
Chemical Structure
2D Structure
2D structure of Parthenolide
CAS: 20554-84-1
CID: 6473881
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area38.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
E1KS2341Parthenolide ((-) -Parthenolide)
MBS385623-01Parthenolide ((-)-Parthenolide)
MBS8506347-01Parthenolide ( (-)-Parthenolide)
A10698-50Parthenolide ((-) -Parthenolide) 50mg
N1315-SParthenolide
C08474-100mg(-) -Parthenolide

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