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Artemisic acid

CAT: 0013-GTR19169320-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19169320-02Size:1 ml x 10 mM (in DMSO)
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Description
Artemisic acid
CAS Number
80286-58-4
Product Name Alternative
Inhibit, Inhibitor, Antibacterial, Artemisic acid, Artemisinic acid, Arteannuic acid, Bacterial, (+) -Artemisinic Acid, Qing Hao acid
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Signal Transduction
Purity
99.05% (May vary between batches)
Solubility
Chloroform, Dichloromethane, Ethyl Acetate, Acetone, etc.:Soluble;10% DMSO+40% PEG300+5% Tween-80+45% Saline:1 mg/mL (4.27 mM) ; DMSO:45 mg/mL (192.04 mM)
Smiles
C[C@@H]1CC[C@H] ([C@H]2C=C (C) CC[C@@H]12) C (=C) C (O) =O
Molecular Formula
C15H22O2
Molecular Weight
234.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Artemisinic Acid

(+)-artemisinic acid is a monocarboxylic acid that is prop-2-enoic acid which is substituted at position 2 by a 4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group (the 1S,4R,4aS,8aR diastereoisomer). It is a sesquiterpenoid precursor of artemisinin, obtained from sweet wormwood, Artemisia annua. It has a role as a metabolite. It is a member of octahydronaphthalenes, a monocarboxylic acid, a sesquiterpenoid and a carbobicyclic compound. It is functionally related to a (+)-artemisinic alcohol. It is a conjugate acid of a (+)-artemisinate.

CAS Number80286-58-4
PubChem CID10922465
IUPAC Name2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid
Molecular FormulaC15H22O2
Molecular Weight234.33
XLogP3.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity367
SMILES
C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C(=O)O
InChI
InChI=1S/C15H22O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10,12-14H,3-7H2,1-2H3,(H,16,17)/t10-,12+,13+,14+/m1/s1
InChIKey
PLQMEXSCSAIXGB-SAXRGWBVSA-N
Chemical Structure
2D Structure
2D structure of Artemisinic Acid
CAS: 80286-58-4
CID: 10922465
Formula: C15H22O2
MW: 234.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.33
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass234.161979940
Monoisotopic Mass234.161979940
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity367
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

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