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(1S,2S,3R,4S,5S)-2,4-o-Acetyl-3-o-benzyl-5-((benzyloxy)methyl)cyclohexane-1,2,3,4,5-pentol

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(1S,2S,3R,4S,5S)-2,4-o-Acetyl-3-o-benzyl-5-((benzyloxy)methyl)cyclohexane-1,2,3,4,5-pentol
SpectraBase Compound ID J3iHy2m37EB
InChI InChI=1S/C25H30O8/c1-17(26)32-23-21(28)13-22(31-16-29-14-19-9-5-3-6-10-19)24(33-18(2)27)25(23)30-15-20-11-7-4-8-12-20/h3-12,21-25,28H,13-16H2,1-2H3/t21-,22-,23-,24-,25+/m0/s1
InChIKey GJNZSQLPZZSEMP-KFEALIJWSA-N
Mol Weight 458.51 g/mol
Molecular Formula C25H30O8
Exact Mass 458.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHpgS14mOni
Name (1S,2S,3R,4S,5S)-2,4-o-Acetyl-3-o-benzyl-5-((benzyloxy)methyl)cyclohexane-1,2,3,4,5-pentol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.194067918 u
Formula C25H30O8
InChI InChI=1S/C25H30O8/c1-17(26)32-23-21(28)13-22(31-16-29-14-19-9-5-3-6-10-19)24(33-18(2)27)25(23)30-15-20-11-7-4-8-12-20/h3-12,21-25,28H,13-16H2,1-2H3/t21-,22-,23-,24-,25+/m0/s1
InChIKey GJNZSQLPZZSEMP-KFEALIJWSA-N
Molecular Weight 458.507 g/mol
SMILES [C@@]1([C@]([C@@](O)(C[C@@]([C@@]1(OC(=O)C)[H])(OCOCC=1C=CC=CC1)[H])[H])(OC(=O)C)[H])(OCC1=CC=CC=C1)[H]