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2-[(5R,6R,7R,8S)-9-oxo-6-(Z)-(pent-3-enyl)-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
SpectraBase Compound ID Hlg5INGC7mE
InChI InChI=1S/C18H20O3/c1-2-3-4-8-14-15(10-11-19)18-16(20)12-7-5-6-9-13(12)17(14)21-18/h3-7,9,11,14-15,17-18H,2,8,10H2,1H3/b4-3-/t14-,15-,17-,18-/m1/s1
InChIKey MVBSCBPFQTWCFI-RXVQTOLPSA-N
Mol Weight 284.36 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SCuSOm9l7p
Name 2-[(5R,6R,7R,8S)-9-oxo-6-(Z)-(pent-3-enyl)-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
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Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-2-3-4-8-14-15(10-11-19)18-16(20)12-7-5-6-9-13(12)17(14)21-18/h3-7,9,11,14-15,17-18H,2,8,10H2,1H3/b4-3-/t14-,15-,17-,18-/m1/s1
InChIKey MVBSCBPFQTWCFI-RXVQTOLPSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 284.355 g/mol
SMILES C([C@@]1([C@]([C@@]2(C(=O)c3c([C@]1(O2)[H])cccc3)[H])(CC=O)[H])[H])\C=C/CC
SPLASH splash10-014j-3900000000-4fdf25fc30648ae2524b
Source of Spectrum ACI-54-3043/SM16-4l
Synonyms 2-((5S,6R,7R,8R)-9-oxo-6-((Z)-pent-2-en-1-yl)-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl)acetaldehyde
Wiley ID 1760438