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(1S,2S,3S,4R,5R)-1,2-Anhydro-3,4-di-O-benzyl-5-benzyloxymethylcyclohexan-1,2,3,4-tetraol
SpectraBase Compound ID 3Zpb14vS0Cm
InChI InChI=1S/C28H30O4/c1-4-10-21(11-5-1)17-29-20-24-16-25-27(32-25)28(31-19-23-14-8-3-9-15-23)26(24)30-18-22-12-6-2-7-13-22/h1-15,24-28H,16-20H2/t24-,25+,26-,27+,28+/m1/s1
InChIKey YRMGWJVCCUPDRN-VFHRMQJUSA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnQD55Xpf5i
Name (1S,2S,3S,4R,5R)-1,2-Anhydro-3,4-di-O-benzyl-5-benzyloxymethylcyclohexan-1,2,3,4-tetraol
Alternate Name(s) (1S,2S,3R,4R,6S)-2,3-Bis-benzyloxy-4-benzyloxymethyl-7-oxa-bicyclo[4.1.0]heptane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O4
InChI InChI=1S/C28H30O4/c1-4-10-21(11-5-1)17-29-20-24-16-25-27(32-25)28(31-19-23-14-8-3-9-15-23)26(24)30-18-22-12-6-2-7-13-22/h1-15,24-28H,16-20H2/t24-,25+,26-,27+,28+/m1/s1
InChIKey YRMGWJVCCUPDRN-VFHRMQJUSA-N
Molecular Weight 430.544 g/mol
SMILES [C@]12(O[C@]2(C[C@@]([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H])[H])[H]
SPLASH splash10-0006-9002000000-c03db754b70317756e8a
Source of Spectrum QC-5-1358-8
Wiley ID 883629