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(1R,2R,5S)-2-Benzyloxymethyl-3-oxo-2-methyl-5-(2-methyl[1,3]dioxolan-2-yl)-cyclopentylmethyl acetate
SpectraBase Compound ID FhrwCQ7UmZ0
InChI InChI=1S/C21H28O6/c1-15(22)25-13-18-17(21(3)26-9-10-27-21)11-19(23)20(18,2)14-24-12-16-7-5-4-6-8-16/h4-8,17-18H,9-14H2,1-3H3/t17-,18+,20-/m0/s1
InChIKey IGAIDKKNNVOVGF-NSHGMRRFSA-N
Mol Weight 376.45 g/mol
Molecular Formula C21H28O6
Exact Mass 376.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gX4SREHnfc
Name (1R,2R,5S)-2-Benzyloxymethyl-3-oxo-2-methyl-5-(2-methyl[1,3]dioxolan-2-yl)-cyclopentylmethyl acetate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O6
InChI InChI=1S/C21H28O6/c1-15(22)25-13-18-17(21(3)26-9-10-27-21)11-19(23)20(18,2)14-24-12-16-7-5-4-6-8-16/h4-8,17-18H,9-14H2,1-3H3/t17-,18+,20-/m0/s1
InChIKey IGAIDKKNNVOVGF-NSHGMRRFSA-N
Molecular Weight 376.449 g/mol
SMILES [C@]1([C@@]([C@@](C2(OCCO2)C)(CC1=O)[H])(COC(=O)C)[H])(COCc1ccccc1)C
SPLASH splash10-000i-9000000000-825f13b6604028334128
Source of Spectrum F-59-69-16
Synonyms acetic acid [(1R,2R,5S)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-3-oxo-2-(phenylmethoxymethyl)cyclopentyl]methyl ester [(1R,2R,5S)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-3-oxo-2-(phenylmethoxymethyl)cyclopentyl]methyl acetate [(1R,2R,5S)-2-(benzyloxymethyl)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-3-oxo-cyclopentyl]methyl acetate [(1R,2R,5S)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-3-oxidanylidene-2-(phenylmethoxymethyl)cyclopentyl]methyl ethanoate
Wiley ID 1676639