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ARTIMISITENE
SpectraBase Compound ID AwfhJ2V70eO
InChI InChI=1S/C15H20O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10+,11+,13-,14-,15-/m1/s1
InChIKey IGEBZMMCKFUABB-KPHNHPKPSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dpq26Mp1yl
Name Artemisitene
Alternate Name(s) (3R,5aS,6R,8aS,12S,12aR)-3,6-dimethyl-9-methyleneoctahydro-12H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one
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Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10+,11+,13-,14-,15-/m1/s1
InChIKey IGEBZMMCKFUABB-KPHNHPKPSA-N
Literature Reference DOI 10.1002/pca.2800020507
Molecular Weight 280.320 g/mol
SMILES C1[C@@]2(O[C@@]3([C@]4([C@@](C1)([C@@](CC[C@]4(C(C(O3)=O)=C)[H])(C)[H])[H])OO2)[H])C
SPLASH splash10-0006-9300000000-ff715382bb5312341c6f
Source of Spectrum PA-2-216-4
Wiley ID 1800143