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(1S,2S)-3-(4-Benzyloxy-2-hydroxyphenyl)-1-(4-benzyloxyphenyl)propane-1,2-diol
SpectraBase Compound ID LfUQH4Nytff
InChI InChI=1S/C29H28O5/c30-27-18-26(34-20-22-9-5-2-6-10-22)16-13-24(27)17-28(31)29(32)23-11-14-25(15-12-23)33-19-21-7-3-1-4-8-21/h1-16,18,28-32H,17,19-20H2/t28-,29-/m0/s1
InChIKey CJOCELMGBHYCCC-VMPREFPWSA-N
Mol Weight 456.54 g/mol
Molecular Formula C29H28O5
Exact Mass 456.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5D3zxF45xWe
Name (1S,2S)-3-(4-Benzyloxy-2-hydroxyphenyl)-1-(4-benzyloxyphenyl)propane-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28O5
InChI InChI=1S/C29H28O5/c30-27-18-26(34-20-22-9-5-2-6-10-22)16-13-24(27)17-28(31)29(32)23-11-14-25(15-12-23)33-19-21-7-3-1-4-8-21/h1-16,18,28-32H,17,19-20H2/t28-,29-/m0/s1
InChIKey CJOCELMGBHYCCC-VMPREFPWSA-N
Molecular Weight 456.538 g/mol
SMILES Oc1c(C[C@@]([C@](c2ccc(OCc3ccccc3)cc2)(O)[H])(O)[H])ccc(c1)OCc1ccccc1
SPLASH splash10-01p6-8791600000-2f5a1fb8df14f59c574f
Source of Spectrum F4-41-784-12c
Synonyms (1S,2S)-3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(4-phenylmethoxyphenyl)propane-1,2-diol (1S,2S)-3-(4-benzyloxy-2-hydroxy-phenyl)-1-(4-benzyloxyphenyl)propane-1,2-diol (1S,2S)-3-(2-oxidanyl-4-phenylmethoxy-phenyl)-1-(4-phenylmethoxyphenyl)propane-1,2-diol
Wiley ID 1672139