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(5R,6R,7R,8S)-7-(2-hydroxyehtyl)-8-methyl-6-propyl-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
SpectraBase Compound ID EVAMRblvh37
InChI InChI=1S/C17H22O3/c1-3-6-13-14(9-10-18)17(2)16(19)12-8-5-4-7-11(12)15(13)20-17/h4-5,7-8,13-15,18H,3,6,9-10H2,1-2H3/t13-,14-,15-,17-/m1/s1
InChIKey VLVASLFNZHGUFE-KCYZZUKISA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKLiytLO3m6
Name (5R,6R,7R,8S)-7-(2-hydroxyehtyl)-8-methyl-6-propyl-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
Alternate Name(s) (5S,6R,7R,8R)-7-(2-hydroxyethyl)-8-methyl-6-propyl-7,8-dihydro-5H-5,8-epoxybenzo[7]annulen-9(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-3-6-13-14(9-10-18)17(2)16(19)12-8-5-4-7-11(12)15(13)20-17/h4-5,7-8,13-15,18H,3,6,9-10H2,1-2H3/t13-,14-,15-,17-/m1/s1
InChIKey VLVASLFNZHGUFE-KCYZZUKISA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 274.360 g/mol
SMILES OCC[C@]1([C@]2(O[C@@]([C@@]1(CCC)[H])(c1ccccc1C2=O)[H])C)[H]
SPLASH splash10-01qa-3900000000-67117b19f6449a1d080f
Source of Spectrum ACI-54-3043/SM24-5s
Wiley ID 1760470