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ARTEMISINIC_ACID
SpectraBase Compound ID KRgTew0OVqb
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
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpiQCsL8SMY
Name Arteannuic acid
Alternate Name(s) 2-((1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl)acrylic acid
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Formula C15H22O2
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
Literature Reference DOI 10.1002/pca.2800020507
Molecular Weight 234.339 g/mol
SMILES OC(C([C@]1([C@@]2([C@@](CCC(=C2)C)([C@@](CC1)(C)[H])[H])[H])[H])=C)=O
SPLASH splash10-05i3-8910000000-7f5469aac9621ece34af
Source of Spectrum PA-2-216-1
Wiley ID 1800140