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Aloe-emodin 2TMS
SpectraBase Compound ID DIVOxl4DLfk
InChI InChI=1S/C21H26O5Si2/c1-27(2,3)25-12-13-10-15-19(17(11-13)26-28(4,5)6)21(24)18-14(20(15)23)8-7-9-16(18)22/h7-11,22H,12H2,1-6H3
InChIKey YTUUAMFWSINOHG-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C21H26O5Si2
Exact Mass 414.131877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20JsfVuX5s
Name Aloe-emodin 2TMS
Classification Laxative
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Exact Mass 414.131877002 u
Formula C21H26O5Si2
InChI InChI=1S/C21H26O5Si2/c1-27(2,3)25-12-13-10-15-19(17(11-13)26-28(4,5)6)21(24)18-14(20(15)23)8-7-9-16(18)22/h7-11,22H,12H2,1-6H3
InChIKey YTUUAMFWSINOHG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 414.604 g/mol
SMILES c1ccc2C(c3c(c(cc(CO[Si](C)(C)C)c3)O[Si](C)(C)C)C(c2c1O)=O)=O
SPLASH splash10-0002-5419200000-882ac7d84f7c282f28bc
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
Technique GC/MS
Wiley ID MMPW6e_3577