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(1'S,2R,5S,6R)-5-[1'-(Naphth-1"-yl)methyl-1'-(benzoyloxy)]-2-(t-butyl)-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID LCy7U23yXIU
InChI InChI=1S/C27H28O5/c1-17-23(25(29)32-26(30-17)27(2,3)4)31-24(28)22-15-8-6-11-20(22)16-19-13-9-12-18-10-5-7-14-21(18)19/h5-15,17,23,26H,16H2,1-4H3/t17-,23+,26-/m1/s1
InChIKey DOOINFBPADCTEE-WVTMANGGSA-N
Mol Weight 432.52 g/mol
Molecular Formula C27H28O5
Exact Mass 432.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrhG59M3kMW
Name (1'S,2R,5S,6R)-5-[1'-(Naphth-1"-yl)methyl-1'-(benzoyloxy)]-2-(t-butyl)-6-methyl-1,3-dioxan-4-one
Alternate Name(s) (1'R,2R,5S,6R)-5-[1'-(naphth-1''-yl)methyl-1'-(benzoyloxy)]-2-(t-butyl)-6-methyl-1,3-dioxan-4-one (2R,4R,5S)-2-tert-butyl-4-methyl-6-oxo-1,3-dioxan-5-yl 2-(1-naphthylmethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28O5
InChI InChI=1S/C27H28O5/c1-17-23(25(29)32-26(30-17)27(2,3)4)31-24(28)22-15-8-6-11-20(22)16-19-13-9-12-18-10-5-7-14-21(18)19/h5-15,17,23,26H,16H2,1-4H3/t17-,23+,26-/m1/s1
InChIKey DOOINFBPADCTEE-WVTMANGGSA-N
Molecular Weight 432.516 g/mol
SMILES [C@@]1(C(O[C@@](O[C@@]1(C)[H])(C(C)(C)C)[H])=O)(OC(c1c(Cc2c3c(cccc3)ccc2)cccc1)=O)[H]
SPLASH splash10-0a4i-1921100000-73dd935f0940efecdba9
Source of Spectrum H-76-472-11
Wiley ID 1382438