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Ethyl (1S,2R,4R,5R)-4-[(2S)-2-acetoxy-2-phenylacetoxy]-2-hydroxy-5-methyl-2-(2-trimethylsilyl-3-furyl)cyclohexanecarboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl (1S,2R,4R,5R)-4-[(2S)-2-acetoxy-2-phenylacetoxy]-2-hydroxy-5-methyl-2-(2-trimethylsilyl-3-furyl)cyclohexanecarboxylate
SpectraBase Compound ID 9egWX8lSPNs
InChI InChI=1S/C27H36O8Si/c1-7-32-24(29)21-15-17(2)22(16-27(21,31)20-13-14-33-26(20)36(4,5)6)35-25(30)23(34-18(3)28)19-11-9-8-10-12-19/h8-14,17,21-23,31H,7,15-16H2,1-6H3/t17-,21-,22-,23+,27+/m1/s1
InChIKey IWJAWSMRRHQYCU-SJMVAQJGSA-N
Mol Weight 516.7 g/mol
Molecular Formula C27H36O8Si
Exact Mass 516.217945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZqCSMkCI90
Name Ethyl (1S,2R,4R,5R)-4-[(2S)-2-acetoxy-2-phenylacetoxy]-2-hydroxy-5-methyl-2-(2-trimethylsilyl-3-furyl)cyclohexanecarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O8Si
InChI InChI=1S/C27H36O8Si/c1-7-32-24(29)21-15-17(2)22(16-27(21,31)20-13-14-33-26(20)36(4,5)6)35-25(30)23(34-18(3)28)19-11-9-8-10-12-19/h8-14,17,21-23,31H,7,15-16H2,1-6H3/t17-,21-,22-,23+,27+/m1/s1
InChIKey IWJAWSMRRHQYCU-SJMVAQJGSA-N
Molecular Weight 516.662 g/mol
SMILES O[C@@]1(c2c(occ2)[Si](C)(C)C)[C@](C[C@]([C@@](C1)(OC([C@@](OC(=O)C)(c1ccccc1)[H])=O)[H])(C)[H])(C(=O)OCC)[H]
SPLASH splash10-0udi-0000090000-6dc7d2513dc71d114bc5
Source of Spectrum KC-0-395-11
Synonyms ethyl (1S,2R,4R,5R)-4-{[(2S)-2-(acetyloxy)-2-phenylethanoyl]oxy}-2-hydroxy-5-methyl-2-[2-(trimethylsilyl)-3-furyl]cyclohexanecarboxylate
Wiley ID 787446