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Aloe emodin 3TMS
SpectraBase Compound ID 29vkpoO6pxx
InChI InChI=1S/C24H34O5Si3/c1-30(2,3)27-15-16-13-18-22(20(14-16)29-32(7,8)9)24(26)21-17(23(18)25)11-10-12-19(21)28-31(4,5)6/h10-14H,15H2,1-9H3
InChIKey LARBULDQJFLXGW-UHFFFAOYSA-N
Mol Weight 486.8 g/mol
Molecular Formula C24H34O5Si3
Exact Mass 486.171404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SMcgt5jaC
Name Aloe-emodin 3TMS
Classification Laxative
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Exact Mass 486.171403795 u
Formula C24H34O5Si3
InChI InChI=1S/C24H34O5Si3/c1-30(2,3)27-15-16-13-18-22(20(14-16)29-32(7,8)9)24(26)21-17(23(18)25)11-10-12-19(21)28-31(4,5)6/h10-14H,15H2,1-9H3
InChIKey LARBULDQJFLXGW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 486.786 g/mol
SMILES c1c(O[Si](C)(C)C)c2C(=O)c3c(C(c2cc1)=O)cc(CO[Si](C)(C)C)cc3O[Si](C)(C)C
SPLASH splash10-00di-3001900000-3910ff8486e55acba8b9
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_3576