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(1R,2R,3R,4R,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-7-oxabicyclo[4.1.0]heptan-5-ol

View entire compound with spectra: 2 MS (GC)

(1R,2R,3R,4R,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-7-oxabicyclo[4.1.0]heptan-5-ol
SpectraBase Compound ID 3SPCZg7gYv
InChI InChI=1S/C28H30O5/c29-24-27(32-18-22-14-8-3-9-15-22)25(31-17-21-12-6-2-7-13-21)23(26-28(24)33-26)19-30-16-20-10-4-1-5-11-20/h1-15,23-29H,16-19H2/t23-,24-,25-,26-,27-,28+/m1/s1
InChIKey PTJCQAJXXWSVES-PYFBZWTESA-N
Mol Weight 446.54 g/mol
Molecular Formula C28H30O5
Exact Mass 446.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHn0dsP6CbK
Name (1R,2R,3R,4R,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-7-oxabicyclo[4.1.0]heptan-5-ol
Alternate Name(s) (1R,2R,3R,4R,5R,6S)-3,4-dibenzoxy-2-(benzoxymethyl)-7-oxabicyclo[4.1.0]heptan-5-ol (1R,2R,3R,4R,5R,6S)-3,4-dibenzyloxy-2-(benzyloxymethyl)-7-oxabicyclo[4.1.0]heptan-5-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O5
InChI InChI=1S/C28H30O5/c29-24-27(32-18-22-14-8-3-9-15-22)25(31-17-21-12-6-2-7-13-21)23(26-28(24)33-26)19-30-16-20-10-4-1-5-11-20/h1-15,23-29H,16-19H2/t23-,24-,25-,26-,27-,28+/m1/s1
InChIKey PTJCQAJXXWSVES-PYFBZWTESA-N
Molecular Weight 446.543 g/mol
SMILES O[C@]1([C@]2([C@@]([C@](COCc3ccccc3)([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])(O2)[H])[H])[H]
SPLASH splash10-052f-9006000000-fb988696cccbfdd761a2
Source of Spectrum KC-0-2023-24
Wiley ID 781666