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1,3-Dioxane-5-acetic acid, 4-(1,3-benzodioxol-5-yl)-2-phenyl-, methyl ester, (2.alpha.,4.alpha.,5.alpha.)-(.+-.)-
SpectraBase Compound ID JHhAZGYPGlG
InChI InChI=1S/C20H20O6/c1-22-18(21)10-15-11-23-20(13-5-3-2-4-6-13)26-19(15)14-7-8-16-17(9-14)25-12-24-16/h2-9,15,19-20H,10-12H2,1H3/t15-,19-,20+/m1/s1
InChIKey MDQOESQTQMVIDX-YSGRDPCXSA-N
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17B5DTxlXP2
Name 1,3-Dioxane-5-acetic acid, 4-(1,3-benzodioxol-5-yl)-2-phenyl-, methyl ester, (2.alpha.,4.alpha.,5.alpha.)-(.+-.)-
CAS Registry Number 108763-74-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O6
InChI InChI=1S/C20H20O6/c1-22-18(21)10-15-11-23-20(13-5-3-2-4-6-13)26-19(15)14-7-8-16-17(9-14)25-12-24-16/h2-9,15,19-20H,10-12H2,1H3/t15-,19-,20+/m1/s1
InChIKey MDQOESQTQMVIDX-YSGRDPCXSA-N
Molecular Weight 356.374 g/mol
SMILES [C@]1(O[C@](OC[C@]1(CC(=O)OC)[H])(c1ccccc1)[H])(c1cc2OCOc2cc1)[H]
SPLASH splash10-0udi-0900000000-7621b6b55f7e99e31d99
Source of Spectrum F-42-4293-16
Synonyms 2-Phenyl-4-(3,4-methylenedioxyphenyl)-1,3-dioxane-5-ethanoic acid methyl ester Methyl[(2S,4S,5R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-1,3-dioxan-5-yl]acetate Methyl[r-2-phenyl-c-4-(3',4'-methylenedioxyphenyl)1,3-dioxan-c-5-yl)-acetate
Wiley ID 1345800