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(5R,6R,7R,8S) 7-(2-hydroxyehtyl)-6-isopropyl-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
SpectraBase Compound ID 8rSBYXvavrn
InChI InChI=1S/C16H20O3/c1-9(2)13-12(7-8-17)16-14(18)10-5-3-4-6-11(10)15(13)19-16/h3-6,9,12-13,15-17H,7-8H2,1-2H3/t12-,13-,15-,16-/m1/s1
InChIKey ZDNRJJRFXOIYJP-RRCSTGOVSA-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 12vxYZYWDKv
Name (5R,6R,7R,8S) 7-(2-hydroxyehtyl)-6-isopropyl-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-9(2)13-12(7-8-17)16-14(18)10-5-3-4-6-11(10)15(13)19-16/h3-6,9,12-13,15-17H,7-8H2,1-2H3/t12-,13-,15-,16-/m1/s1
InChIKey ZDNRJJRFXOIYJP-RRCSTGOVSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 260.333 g/mol
SMILES OCC[C@]1([C@]2(O[C@@]([C@@]1(C(C)C)[H])(c1ccccc1C2=O)[H])[H])[H]
SPLASH splash10-00l7-1900000000-392f4903d74c0d775e5e
Source of Spectrum ACI-54-3043/SM10-5e
Synonyms (5S,6R,7R,8R)-7-(2-hydroxyethyl)-6-isopropyl-7,8-dihydro-5H-5,8-epoxybenzo[7]annulen-9(6H)-one
Wiley ID 1760457