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(+-)-(6-exo-7-endo)-7-(4-Hydroxy-3-methoxyphenyl)-5-[3-[(methylsulfonyl)oxy]propyl]-3-methoxy-6-methylbicyclo[3.2.1]oct-3-ene-2,8-dione
SpectraBase Compound ID DJdDpitCoV5
InChI InChI=1S/C21H26O8S/c1-12-17(13-6-7-14(22)15(10-13)27-2)18-19(23)16(28-3)11-21(12,20(18)24)8-5-9-29-30(4,25)26/h6-7,10-12,17-18,22H,5,8-9H2,1-4H3/t12-,17+,18+,21-/m1/s1
InChIKey IBWXNZJHNLPMOY-PKCKUPPXSA-N
Mol Weight 438.49 g/mol
Molecular Formula C21H26O8S
Exact Mass 438.134839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2szJtWmQyve
Name (+-)-(6-exo-7-endo)-7-(4-Hydroxy-3-methoxyphenyl)-5-[3-[(methylsulfonyl)oxy]propyl]-3-methoxy-6-methylbicyclo[3.2.1]oct-3-ene-2,8-dione
Alternate Name(s) (+-)-(6-endo-7-exo)-7-(4-Hydroxy-3-methoxyphenyl)-5-[3-[(methylsulfonyl)oxy]propyl]-3-methoxy-6-methylbicyclo[3.2.1]oct-3-ene-2,8-dione 3-[6-(4-hydroxy-3-methoxyphenyl)-3-methoxy-7-methyl-4,8-dioxobicyclo[3.2.1]oct-2-en-1-yl]propyl methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O8S
InChI InChI=1S/C21H26O8S/c1-12-17(13-6-7-14(22)15(10-13)27-2)18-19(23)16(28-3)11-21(12,20(18)24)8-5-9-29-30(4,25)26/h6-7,10-12,17-18,22H,5,8-9H2,1-4H3/t12-,17+,18+,21-/m1/s1
InChIKey IBWXNZJHNLPMOY-PKCKUPPXSA-N
Molecular Weight 438.491 g/mol
SMILES Oc1ccc([C@@]2([C@]([C@@]3(C([C@@]2(C(C(=C3)OC)=O)[H])=O)CCCOS(=O)(=O)C)(C)[H])[H])cc1OC
SPLASH splash10-00kf-0409300000-123f7bd8797dbd407db7
Source of Spectrum J-58-5368-21
Wiley ID 1384052