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11,13-Methylene- parthenolide
SpectraBase Compound ID JTJzRycoqUq
InChI InChI=1S/C16H22O3/c1-10-4-3-7-15(2)13(19-15)12-11(6-5-10)16(8-9-16)14(17)18-12/h4,11-13H,3,5-9H2,1-2H3/b10-4+/t11-,12+,13+,15-/m1/s1
InChIKey OHHCWXVNCYNDBL-YHRHXNEOSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7WQ1TvxzTd
Name 11,13-Methylene- parthenolide
Alternate Name(s) (1'S,2'S,4'R,11'S)-4',8'-dimethyl-3',14'-dioxaspiro[cyclopropane-1,12'-tricyclo[9.3.0.0(2,4)]tetradecan]-7'-en-13'-one
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Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-10-4-3-7-15(2)13(19-15)12-11(6-5-10)16(8-9-16)14(17)18-12/h4,11-13H,3,5-9H2,1-2H3/b10-4+/t11-,12+,13+,15-/m1/s1
InChIKey OHHCWXVNCYNDBL-YHRHXNEOSA-N
Molecular Weight 262.349 g/mol
SMILES [C@@]12(O[C@@]2(CC\C=C\(CC[C@]2(C3(CC3)C(O[C@]12[H])=O)[H])C)C)[H]
SPLASH splash10-000i-9020000000-f03a7d59a0d05bf723cd
Source of Spectrum G-56-1061-0
Wiley ID 748346