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Aristololide
SpectraBase Compound ID EdI01X0OahZ
InChI InChI=1S/C17H24O3/c1-8(2)13-12(20-10(4)18)7-17(5)15-11(19)6-9(3)14(15)16(13)17/h6,8,12-16H,7H2,1-5H3/t12-,13-,14+,15-,16-,17+/m1/s1
InChIKey GGMFQNOZGRZQKM-DBHDPKECSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKcv214jW7W
Name Aristololide
Alternate Name(s) (1S,2R,3aR,3bR,6aR,6bS)-1-isopropyl-3a,6-dimethyl-4-oxo-1,2,3,3a,3b,4,6a,6b-octahydrocyclobuta[1,2:3,4]di[5]annulen-2-yl acetate
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Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-8(2)13-12(20-10(4)18)7-17(5)15-11(19)6-9(3)14(15)16(13)17/h6,8,12-16H,7H2,1-5H3/t12-,13-,14+,15-,16-,17+/m1/s1
InChIKey GGMFQNOZGRZQKM-DBHDPKECSA-N
Literature Reference DOI 10.1002/jccs.200100020
Molecular Weight 276.376 g/mol
SMILES [C@]12(C[C@]([C@@](C(C)C)([C@]1([H])[C@]1([H])[C@@]2([H])C(=O)C=C1C)[H])(OC(C)=O)[H])C
SPLASH splash10-0592-0910000000-418bc4768aef8f005cf7
Source of Spectrum QA-48-112-1
Wiley ID 1795270