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(1S,2S,3R,4S,5S)-4,5-O-Acetyl-3-O-benzyl-5-((benzyloxy)methyl)-cyclohexane-1,2,3,4,5-pentol
SpectraBase Compound ID 2HpfiNya6OF
InChI InChI=1S/C25H30O8/c1-17(26)32-24-23(31-15-20-11-7-4-8-12-20)22(29)21(28)13-25(24,33-18(2)27)16-30-14-19-9-5-3-6-10-19/h3-12,21-24,28-29H,13-16H2,1-2H3/t21-,22-,23+,24-,25-/m0/s1
InChIKey FRFOQKGTHDEXLN-GIDFYXQGSA-N
Mol Weight 458.51 g/mol
Molecular Formula C25H30O8
Exact Mass 458.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbZ04UVKUn
Name (1S,2S,3R,4S,5S)-4,5-O-Acetyl-3-O-benzyl-5-((benzyloxy)methyl)-cyclohexane-1,2,3,4,5-pentol
Comments Less than 3 mono-isotopic peaks
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Formula C25H30O8
InChI InChI=1S/C25H30O8/c1-17(26)32-24-23(31-15-20-11-7-4-8-12-20)22(29)21(28)13-25(24,33-18(2)27)16-30-14-19-9-5-3-6-10-19/h3-12,21-24,28-29H,13-16H2,1-2H3/t21-,22-,23+,24-,25-/m0/s1
InChIKey FRFOQKGTHDEXLN-GIDFYXQGSA-N
Molecular Weight 458.507 g/mol
SMILES O[C@@]1([C@@]([C@]([C@@]([C@@](C1)(OC(=O)C)COCc1ccccc1)(OC(=O)C)[H])(OCc1ccccc1)[H])(O)[H])[H]
SPLASH splash10-03di-0091000000-1155279e2e5a88dc1aca
Source of Spectrum J-61-8477-32
Synonyms (1S,2S,3R,4S,5S)-1,2-Di-O-acetyl-3-O-benzyl-1-benzyloxymethyl-1,2,3,4,5-cyclohexanpentanol (1S,2S,3R,4S,5S)-2-(acetyloxy)-3-(benzyloxy)-1-[(benzyloxy)methyl]-4,5-dihydroxycyclohexyl acetate (1S,2S,3R,4S,5S)-4,5-O-Acetyl-3-O-benzyl-5-((benzyloxy)methyl)-1-cyclohexene-1,2,3,4,5-pentol
Wiley ID 1389871