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1,10-Dibromomethylene-costunolide
SpectraBase Compound ID fLHXosxVga
InChI InChI=1S/C16H20Br2O2/c1-9-4-5-13-15(3,16(13,17)18)7-6-11-10(2)14(19)20-12(11)8-9/h8,11-13H,2,4-7H2,1,3H3/b9-8+/t11-,12?,13+,15+/m0/s1
InChIKey GRVCYVNJVFWIQB-HJBVNNJESA-N
Mol Weight 404.14 g/mol
Molecular Formula C16H20Br2O2
Exact Mass 401.983006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NZu93jo2nT
Name 1,10-Dibromomethylene-costunolide
Alternate Name(s) (E)-(1aR,8aS,10aR)-1,1-Dibromo-4,10a-dimethyl-8-methylene-1,1a,2,3,5a,8,8a,9,10,10a-decahydro-6-oxa-cyclopenta[a]cyclopropa[e]cyclodecen-7-one
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Formula C16H20Br2O2
InChI InChI=1S/C16H20Br2O2/c1-9-4-5-13-15(3,16(13,17)18)7-6-11-10(2)14(19)20-12(11)8-9/h8,11-13H,2,4-7H2,1,3H3/b9-8+/t11-,12?,13+,15+/m0/s1
InChIKey GRVCYVNJVFWIQB-HJBVNNJESA-N
Molecular Weight 404.142 g/mol
SMILES C1([C@@]2(CC[C@]3(C(C(=O)OC3\C=C\(CC[C@@]12[H])C)=C)[H])C)(Br)Br
SPLASH splash10-0006-8592100000-921455cd8541f9692801
Source of Spectrum G-56-1060-0
Wiley ID 748331