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Rupestonic acid

CAT: 0013-GTR19237071-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237071-02Size:100 mg
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Description
Rupestonic acid is a sesquiterpene from Artemisia rupestris L., can inhibit the influenza virus.
CAS Number
83161-56-2
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (402.71 mM)
Molecular Formula
C15H20O3
Molecular Weight
248.32
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Pechueloic Acid

Pechueloic acid is a sesquiterpenoid.

CAS Number83161-56-2
PubChem CID24094149
IUPAC Name2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP2.4
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity445
SMILES
C[C@H]1CC[C@H](CC2=C(C(=O)C[C@@H]12)C)C(=C)C(=O)O
InChI
InChI=1S/C15H20O3/c1-8-4-5-11(9(2)15(17)18)6-13-10(3)14(16)7-12(8)13/h8,11-12H,2,4-7H2,1,3H3,(H,17,18)/t8-,11+,12-/m0/s1
InChIKey
ZFHSKBJBODQVBX-AXTRIDKLSA-N
Chemical Structure
2D Structure
2D structure of Pechueloic Acid
CAS: 83161-56-2
CID: 24094149
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area54.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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