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(S)-4-((1S,2R)-1-Hydroxy-2-phenylselanyl-pentadecyl)-2,2-dimethyl-[1,3]dioxan-5-one

View entire compound with spectra: 1 MS (GC)

(S)-4-((1S,2R)-1-Hydroxy-2-phenylselanyl-pentadecyl)-2,2-dimethyl-[1,3]dioxan-5-one
SpectraBase Compound ID AjdG6piuU6B
InChI InChI=1S/C27H44O4Se/c1-4-5-6-7-8-9-10-11-12-13-17-20-24(32-22-18-15-14-16-19-22)25(29)26-23(28)21-30-27(2,3)31-26/h14-16,18-19,24-26,29H,4-13,17,20-21H2,1-3H3/t24-,25-,26-/m1/s1
InChIKey PPTZGWAMZVHCAG-TWJOJJKGSA-N
Mol Weight 511.6 g/mol
Molecular Formula C27H44O4Se
Exact Mass 512.240482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fVwbPqdukg
Name (S)-4-((1S,2R)-1-Hydroxy-2-phenylselanyl-pentadecyl)-2,2-dimethyl-[1,3]dioxan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O4Se
InChI InChI=1S/C27H44O4Se/c1-4-5-6-7-8-9-10-11-12-13-17-20-24(32-22-18-15-14-16-19-22)25(29)26-23(28)21-30-27(2,3)31-26/h14-16,18-19,24-26,29H,4-13,17,20-21H2,1-3H3/t24-,25-,26-/m1/s1
InChIKey PPTZGWAMZVHCAG-TWJOJJKGSA-N
Molecular Weight 511.617 g/mol
SMILES O[C@@]([C@@]1(OC(C)(C)OCC1=O)[H])([C@]([Se]c1ccccc1)(CCCCCCCCCCCCC)[H])[H]
SPLASH splash10-0udi-0109100000-773ddd33c99b6c64cbbb
Source of Spectrum QE-1-385-5
Synonyms (1'S,2'R/S,4S)-4-(1-Hydroxy-2-phenylselenylpentadecanyl)-2,2-dimethyl[1,3]dioxan-5-one (4S)-4-[(1S,2R)-1-hydroxy-2-(phenylselanyl)pentadecyl]-2,2-dimethyl-1,3-dioxan-5-one
Wiley ID 842423