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Hyodeoxycholic acid, tri-TMS
SpectraBase Compound ID 9AMUCQoVkvZ
InChI InChI=1S/C33H64O4Si3/c1-23(13-16-31(34)37-40(10,11)12)26-14-15-27-25-22-30(36-39(7,8)9)29-21-24(35-38(4,5)6)17-19-33(29,3)28(25)18-20-32(26,27)2/h23-30H,13-22H2,1-12H3
InChIKey GCJQTKLYMBWCJK-UHFFFAOYSA-N
Mol Weight 609.1 g/mol
Molecular Formula C33H64O4Si3
Exact Mass 608.41124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1rEy77YxmP
Name Hyodeoxycholic acid, tri-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 608.411240142 u
Formula C33H64O4Si3
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C33H64O4Si3/c1-23(13-16-31(34)37-40(10,11)12)26-14-15-27-25-22-30(36-39(7,8)9)29-21-24(35-38(4,5)6)17-19-33(29,3)28(25)18-20-32(26,27)2/h23-30H,13-22H2,1-12H3
InChIKey GCJQTKLYMBWCJK-UHFFFAOYSA-N
Molecular Weight 609.126 g/mol
Nominal Mass 608 u
Number of Peaks 392
SMILES C(C1CCC2C1(CCC1C2CC(O[Si](C)(C)C)C2C1(CCC(C2)O[Si](C)(C)C)C)C)(C)CCC(O[Si](C)(C)C)=O
SPLASH splash10-0adi-5962200000-0495eb8be4dbd171be17
Source TriMen Chemicals
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001366