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(+-)-(6-endo-7-exo)-7-[4-[(tert-Butyldimethylsilyl)oxy]-3-methoxyphenyl]-3-methoxy-6-methyl-5-[3-[(methylsulfonyl)oxy]propyl]bicyclo[3.2.1]oct-3-ene-2,8-dione
SpectraBase Compound ID 5eyqFYaaMvj
InChI InChI=1S/C27H40O8SSi/c1-17-22(18-11-12-19(20(15-18)32-5)35-37(8,9)26(2,3)4)23-24(28)21(33-6)16-27(17,25(23)29)13-10-14-34-36(7,30)31/h11-12,15-17,22-23H,10,13-14H2,1-9H3/t17?,22-,23-,27-/m0/s1
InChIKey CIRSAFZFXSRNEL-QLABDSKBSA-N
Mol Weight 552.8 g/mol
Molecular Formula C27H40O8SSi
Exact Mass 552.221316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ckRdG81mKv
Name (+-)-(6-endo-7-exo)-7-[4-[(tert-Butyldimethylsilyl)oxy]-3-methoxyphenyl]-3-methoxy-6-methyl-5-[3-[(methylsulfonyl)oxy]propyl]bicyclo[3.2.1]oct-3-ene-2,8-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O8SSi
InChI InChI=1S/C27H40O8SSi/c1-17-22(18-11-12-19(20(15-18)32-5)35-37(8,9)26(2,3)4)23-24(28)21(33-6)16-27(17,25(23)29)13-10-14-34-36(7,30)31/h11-12,15-17,22-23H,10,13-14H2,1-9H3/t17?,22-,23-,27-/m0/s1
InChIKey CIRSAFZFXSRNEL-QLABDSKBSA-N
Molecular Weight 552.754 g/mol
SMILES [C@@]12(C([C@@]([C@@](C2C)(c2cc(OC)c(cc2)O[Si](C(C)(C)C)(C)C)[H])(C(C(=C1)OC)=O)[H])=O)CCCOS(=O)(=O)C
SPLASH splash10-004i-0910000000-e305e51c982311e36ff0
Source of Spectrum J-58-5368-18
Synonyms 3-[6-(4-{[tert-butyl(dimethyl)silyl]oxy}-3-methoxyphenyl)-3-methoxy-7-methyl-4,8-dioxobicyclo[3.2.1]oct-2-en-1-yl]propyl methanesulfonate
Wiley ID 1405919