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Isosteviol ME                        @
SpectraBase Compound ID 9ZuEVKTX4io
InChI InChI=1S/C21H32O3/c1-18-10-6-15-19(2)8-5-9-20(3,17(23)24-4)14(19)7-11-21(15,13-18)12-16(18)22/h14-15H,5-13H2,1-4H3
InChIKey WWTGKEKQZGKXDC-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DCSAcu1lir
Name Isosteviol ME @
Classification Sweetener
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 332.235144887 u
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-18-10-6-15-19(2)8-5-9-20(3,17(23)24-4)14(19)7-11-21(15,13-18)12-16(18)22/h14-15H,5-13H2,1-4H3
InChIKey WWTGKEKQZGKXDC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 332.484 g/mol
Related CAS Registry Number(s) 27975-19-5
SMILES C1CC(C)(C2CCC34CC(CCC4C2(C)C1)(C(C3)=O)C)C(OC)=O
SPLASH splash10-05gi-5941000000-1c8a1efbd9a575953a6f
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Stevioside artifact (isosteviol) ME
Technique GC/MS
Wiley ID MMPW6e_3681