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(5R,6S,7R,8S)-7-(2-hydroxyethyl)-6-propyl-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
SpectraBase Compound ID BjuBipfw6mf
InChI InChI=1S/C16H20O3/c1-2-5-11-13(8-9-17)16-14(18)10-6-3-4-7-12(10)15(11)19-16/h3-4,6-7,11,13,15-17H,2,5,8-9H2,1H3/t11-,13+,15-,16+/m0/s1
InChIKey XWOADVDFDZDTGX-RUAUBTSSSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nnTtYFe9oy
Name (5R,6S,7R,8S)-7-(2-hydroxyethyl)-6-propyl-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 C16H20O3
InChI InChI=1S/C16H20O3/c1-2-5-11-13(8-9-17)16-14(18)10-6-3-4-7-12(10)15(11)19-16/h3-4,6-7,11,13,15-17H,2,5,8-9H2,1H3/t11-,13+,15-,16+/m0/s1
InChIKey XWOADVDFDZDTGX-RUAUBTSSSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 260.333 g/mol
SMILES OCC[C@]1([C@]2(O[C@@]([C@]1(CCC)[H])(c1ccccc1C2=O)[H])[H])[H]
SPLASH splash10-00ke-1900000000-8384b4be9b9007cf7999
Source of Spectrum ACI-54-3043/SM7-5'c
Synonyms (5S,6S,7R,8R)-7-(2-hydroxyethyl)-6-propyl-7,8-dihydro-5H-5,8-epoxybenzo[7]annulen-9(6H)-one
Wiley ID 1760449