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(5R,6S,7R,8S)7-(2-hydroxyehtyl)-6-[(Z)pent-2-en-1-yl]-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
SpectraBase Compound ID 3nhbYvHUmer
InChI InChI=1S/C18H22O3/c1-2-3-4-8-14-15(10-11-19)18-16(20)12-7-5-6-9-13(12)17(14)21-18/h3-7,9,14-15,17-19H,2,8,10-11H2,1H3/b4-3-/t14-,15+,17+,18+/m0/s1
InChIKey XXYASPSCNVBRCT-XSIFWYSTSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1O5B2Onsaej
Name (5R,6S,7R,8S)7-(2-hydroxyehtyl)-6-[(Z)pent-2-en-1-yl]-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
Alternate Name(s) (5S,6S,7R,8R)-7-(2-hydroxyethyl)-6-((Z)-pent-2-en-1-yl)-7,8-dihydro-5H-5,8-epoxybenzo[7]annulen-9(6H)-one
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Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-2-3-4-8-14-15(10-11-19)18-16(20)12-7-5-6-9-13(12)17(14)21-18/h3-7,9,14-15,17-19H,2,8,10-11H2,1H3/b4-3-/t14-,15+,17+,18+/m0/s1
InChIKey XXYASPSCNVBRCT-XSIFWYSTSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 286.371 g/mol
SMILES OCC[C@@]1([C@@]([C@]2(c3c(cccc3)C([C@@]1(O2)[H])=O)[H])(C\C=C/CC)[H])[H]
SPLASH splash10-002b-2900000000-361aa1d8391c799c5120
Source of Spectrum ACI-54-3043/SM17-5'l
Wiley ID 1760451