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(5R,6S,7R,8S)-7-(2-hydroxyehtyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
SpectraBase Compound ID HhvzbZgJD58
InChI InChI=1S/C20H20O4/c1-23-13-6-4-5-12(11-13)17-16(9-10-21)20-18(22)14-7-2-3-8-15(14)19(17)24-20/h2-8,11,16-17,19-21H,9-10H2,1H3/t16-,17-,19-,20-/m1/s1
InChIKey LAHYWLZJBYPHBN-HNBVOPMISA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JenYVH2glko
Name (5R,6S,7R,8S)-7-(2-hydroxyehtyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
Alternate Name(s) (5S,6S,7R,8R)-7-(2-hydroxyethyl)-6-(3-methoxyphenyl)-7,8-dihydro-5H-5,8-epoxybenzo[7]annulen-9(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-23-13-6-4-5-12(11-13)17-16(9-10-21)20-18(22)14-7-2-3-8-15(14)19(17)24-20/h2-8,11,16-17,19-21H,9-10H2,1H3/t16-,17-,19-,20-/m1/s1
InChIKey LAHYWLZJBYPHBN-HNBVOPMISA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 324.376 g/mol
SMILES OCC[C@@]1([C@]([C@]2(c3c(C([C@@]1(O2)[H])=O)cccc3)[H])(c1cccc(c1)OC)[H])[H]
SPLASH splash10-016s-0900000000-26c1fe4a45c751438772
Source of Spectrum ACI-54-3043/SM14-5i
Wiley ID 1760460