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Artemisinic Aldehyde

CAT: 0572-TRC-A777510-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A777510-25MGSize:25 mg
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CAS Number
125276-60-0
Synonyms
1-Naphthaleneacetaldehyde, 1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-α-methylene-, (1R,4R,4aS,8aR)-; 1-Naphthaleneacetaldehyde, 1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-α-methylene-, [1R-(1α,4β,4aβ,8aβ)]-; (1R,4R,4aS,8aR)-1,2,3,4,4a,5,6,8a-Octahydro-4,7-dimethyl-α-methylene-1-naphthaleneacetaldehyde; Artemisinic aldehyde
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C=O
Molecular Formula
C15 H22 O
Molecular Weight
218.33
InChI
InChI=1S/C15H22O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11,13-15H,3-7H2,1-2H3/t11-,13+,14+,15+/m1/s1
Additionnal Information
IUPAC name: 2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enal
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Artemisinic aldehyde

Artemisinic aldehyde is a sesquiterpenoid aldehyde, an intermedediate in the biosynthesis of artemisinin from artemisinic alcohol in Artemisia annua. It is a member of octahydronaphthalenes, an aldehyde, a sesquiterpenoid and a carbobicyclic compound.

CAS Number125276-60-0
PubChem CID15983961
IUPAC Name2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enal
Molecular FormulaC15H22O
Molecular Weight218.33
XLogP3.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity326
SMILES
C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C=O
InChI
InChI=1S/C15H22O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11,13-15H,3-7H2,1-2H3/t11-,13+,14+,15+/m1/s1
InChIKey
SVAPNGMAOHQQFJ-UNQGMJICSA-N
Chemical Structure
2D Structure
2D structure of Artemisinic aldehyde
CAS: 125276-60-0
CID: 15983961
Formula: C15H22O
MW: 218.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.33
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass218.167065321
Monoisotopic Mass218.167065321
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity326
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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Alternative Products

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AR-A02589-01Artemisinic Aldehyde
AR-A07141-01Dihydro Artemisinic Aldehyde
441788-01Artemisinic Alcohol
GTR19159391-01Artemisinic acid
441790-01Artemisinic O-methanesulfonate
AR-A02592-01Dihydro Artemisinic Acid
AR-A07140-01Dihydro Artemisinic Alcohol
AR-A02593-01Artemisinic Acid Carbonate Impurity
9001-AATFluorescein aldehyde [5-FAM aldehyde]
9006-AATRhodamine aldehyde [5-TAMRA aldehyde]

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