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DihydroarteMisinic acid

CAT: 0013-GTR19166618-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166618-01Size:50 mg
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Description
DihydroarteMisinic acid
CAS Number
85031-59-0
Product Name Alternative
Inhibitor, inhibit, Parasite, Ferroptosis, Dihydro-Artmisinic Acid, DihydroarteMisinic acid, Dihydroqinghao acid
Field of Research
Cell Biology, Infectious Disease & Virology
Purity
99.06% (May vary between batches)
Solubility
DMSO:43 mg/mL (181.93 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (8.46 mM) ; Chloroform, Dichloromethane, Ethyl Acetate, Acetone, etc.:Soluble
Smiles
[H][C@@]12CCC (C) =C[C@]1 ([H]) [C@@H] (CC[C@H]2C) [C@@H] (C) C (O) =O
Molecular Formula
C15H24O2
Molecular Weight
236.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dihydroartemisinic acid

Dihydroartemisinic acid is a monocarboxylic acid that is propanoic acid substituted at position 2 by a (1S,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group. It is a sesquiterpenoid precursor of the antimalarial drug, artemisinin. It has a role as a plant metabolite. It is a member of octahydronaphthalenes, a monocarboxylic acid, a sesquiterpenoid and a carbobicyclic compound. It is a conjugate acid of a dihydroartemisinate.

CAS Number85031-59-0
PubChem CID11020893
IUPAC Name(2R)-2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic acid
Molecular FormulaC15H24O2
Molecular Weight236.35
XLogP3.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity332
SMILES
C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)[C@@H](C)C(=O)O
InChI
InChI=1S/C15H24O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10-14H,4-7H2,1-3H3,(H,16,17)/t10-,11-,12+,13+,14+/m1/s1
InChIKey
JYGAZEJXUVDYHI-DGTMBMJNSA-N
Chemical Structure
2D Structure
2D structure of Dihydroartemisinic acid
CAS: 85031-59-0
CID: 11020893
Formula: C15H24O2
MW: 236.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.35
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass236.177630004
Monoisotopic Mass236.177630004
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity332
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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