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Catechin-7-O-glucoside, octa-TMS
SpectraBase Compound ID LmCGcaWKYKY
InChI InChI=1S/C45H88O11Si8/c1-57(2,3)46-31-40-42(54-62(16,17)18)43(55-63(19,20)21)44(56-64(22,23)24)45(49-40)47-33-28-36-34(37(29-33)51-59(7,8)9)30-39(53-61(13,14)15)41(48-36)32-25-26-35(50-58(4,5)6)38(27-32)52-60(10,11)12/h25-29,39-45H,30-31H2,1-24H3
InChIKey QDILEWUZWFRDNW-UHFFFAOYSA-N
Mol Weight 1029.9 g/mol
Molecular Formula C45H88O11Si8
Exact Mass 1028.448076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ci6402UjqWH
Name epi-Catechin 7-O-glucoside, octa-TMS
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 1028.448075923 u
Formula C45H88O11Si8
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C45H88O11Si8/c1-57(2,3)46-31-40-42(54-62(16,17)18)43(55-63(19,20)21)44(56-64(22,23)24)45(49-40)47-33-28-36-34(37(29-33)51-59(7,8)9)30-39(53-61(13,14)15)41(48-36)32-25-26-35(50-58(4,5)6)38(27-32)52-60(10,11)12/h25-29,39-45H,30-31H2,1-24H3
InChIKey QDILEWUZWFRDNW-UHFFFAOYSA-N
Molecular Weight 1029.868 g/mol
Nominal Mass 1028 u
Number of Peaks 515
SMILES c1(OC2OC(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CO[Si](C)(C)C)cc2OC(c3ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3)C(O[Si](C)(C)C)Cc2c(O[Si](C)(C)C)c1
SPLASH splash10-01ba-6698200000-08c4ea9e5e093cebb04f
Source admixture in the catechin 7-O-glucoside preparation
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001956