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2-[(5R,6R,7R,8S)-6-(2-methoxyphenyl)-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
SpectraBase Compound ID 4rWPemBLrPm
InChI InChI=1S/C20H18O4/c1-23-16-9-5-4-8-14(16)17-15(10-11-21)20-18(22)12-6-2-3-7-13(12)19(17)24-20/h2-9,11,15,17,19-20H,10H2,1H3/t15-,17-,19-,20-/m1/s1
InChIKey MDQJVUXIBRKNFF-RARDXLECSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wBRZns8t72
Name 2-[(5R,6R,7R,8S)-6-(2-methoxyphenyl)-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
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Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-23-16-9-5-4-8-14(16)17-15(10-11-21)20-18(22)12-6-2-3-7-13(12)19(17)24-20/h2-9,11,15,17,19-20H,10H2,1H3/t15-,17-,19-,20-/m1/s1
InChIKey MDQJVUXIBRKNFF-RARDXLECSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 322.360 g/mol
SMILES c1([C@@]2([C@]([C@@]3(C(c4c([C@]2(O3)[H])cccc4)=O)[H])(CC=O)[H])[H])ccccc1OC
SPLASH splash10-002b-2900000000-2815d957c0512213553e
Source of Spectrum ACI-54-3043/SM12-4h
Synonyms 2-((5S,6S,7R,8R)-6-(2-methoxyphenyl)-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl)acetaldehyde
Wiley ID 1760434