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7-Oxabicyclo[2.2.1]heptan-2-ol, 3,5,5-tris(phenylmethoxy)-, acetate, (2-exo,3-endo)-(.+-.)-
SpectraBase Compound ID Bf4kC9yOqG9
InChI InChI=1S/C29H30O6/c1-21(30)34-26-25-17-29(32-19-23-13-7-3-8-14-23,33-20-24-15-9-4-10-16-24)28(35-25)27(26)31-18-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3/t25-,26-,27+,28-/m1/s1
InChIKey HMLKSEFROKHYDW-ZZXHUEHTSA-N
Mol Weight 474.55 g/mol
Molecular Formula C29H30O6
Exact Mass 474.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Xk2iVnbaM2
Name 7-Oxabicyclo[2.2.1]heptan-2-ol, 3,5,5-tris(phenylmethoxy)-, acetate, (2-exo,3-endo)-(.+-.)-
CAS Registry Number 115140-23-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30O6
InChI InChI=1S/C29H30O6/c1-21(30)34-26-25-17-29(32-19-23-13-7-3-8-14-23,33-20-24-15-9-4-10-16-24)28(35-25)27(26)31-18-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3/t25-,26-,27+,28-/m1/s1
InChIKey HMLKSEFROKHYDW-ZZXHUEHTSA-N
Molecular Weight 474.553 g/mol
SMILES [C@@]12(C(C[C@@](O2)([C@]([C@@]1(OCc1ccccc1)[H])(OC(=O)C)[H])[H])(OCc1ccccc1)OCc1ccccc1)[H]
SPLASH splash10-0006-9300000000-3af8706ef305d9308258
Source of Spectrum H-70-1717-31
Synonyms (1RS,2RS,3SR,4RS)-3-endo,5,-tris(benzyloxy)-7-oxabicyclo[2.2.1]hept-2-exo-yl acetate 3,5,5-tris(benzyloxy)-7-oxabicyclo[2.2.1]hept-2-yl acetate
Wiley ID 1393962