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(5R,6S,7R,8S)-6-heptyl-7-(2-hydroxyethyl)-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
SpectraBase Compound ID 8saTI0Q2Pgj
InChI InChI=1S/C20H28O3/c1-2-3-4-5-6-10-16-17(12-13-21)20-18(22)14-9-7-8-11-15(14)19(16)23-20/h7-9,11,16-17,19-21H,2-6,10,12-13H2,1H3/t16-,17+,19+,20+/m0/s1
InChIKey OWYFYZJTPFOMOS-ONCXSQPRSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIzTqHIXLGg
Name (5R,6S,7R,8S)-6-heptyl-7-(2-hydroxyethyl)-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-2-3-4-5-6-10-16-17(12-13-21)20-18(22)14-9-7-8-11-15(14)19(16)23-20/h7-9,11,16-17,19-21H,2-6,10,12-13H2,1H3/t16-,17+,19+,20+/m0/s1
InChIKey OWYFYZJTPFOMOS-ONCXSQPRSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 316.441 g/mol
SMILES OCC[C@@]1([C@](CCCCCCC)([C@@]2(O[C@@]1([H])C(=O)c1ccccc21)[H])[H])[H]
SPLASH splash10-0002-2930000000-df796dc15b671fca901e
Source of Spectrum ACI-54-3043/SM9-5'd
Synonyms (5S,6S,7R,8R)-6-heptyl-7-(2-hydroxyethyl)-7,8-dihydro-5H-5,8-epoxybenzo[7]annulen-9(6H)-one
Wiley ID 1760450