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(2R)-2-[(1R,4R,4aS,8aS)-4-methyl-7-(trideuteriomethyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic acid
SpectraBase Compound ID LCCII8TCF0n
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/i1+1D3
InChIKey JYGAZEJXUVDYHI-TVYCDYDLSA-N
Mol Weight 240.37 g/mol
Molecular Formula C1413CH212D3O2
Exact Mass 240.199815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLymSJoiD0T
Name (2R)-2-[(1R,4R,4aS,8aS)-4-methyl-7-(trideuteriomethyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic acid
Alternate Name(s) [15-13CD3]-Dihydroartemisinic acid
Comments Original formula: C14[13C]H21D3O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2
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/i1+1D3
InChIKey JYGAZEJXUVDYHI-TVYCDYDLSA-N
Molecular Weight 240.366 g/mol
SMILES OC([C@@]([C@]1([C@@]2([C@@](CCC(=C2)[13C]([2D])([2D])[2D])([C@@](CC1)(C)[H])[H])[H])[H])(C)[H])=O
SPLASH splash10-014i-0900000000-768671bccf322492dbc6
Source of Spectrum KC-57-8507-3
Wiley ID 1626099