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16-Keto-26-hydroxycholesterol

View entire compound with spectra: 1 NMR, and 1 FTIR

16-Keto-26-hydroxycholesterol
SpectraBase Compound ID ENTwSMXZHny
InChI InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-23,25,28-29H,5-7,9-16H2,1-4H3
InChIKey YEQXDBHOLDZYQY-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LZiCoj5FoIx
Name 16-Keto-26-hydroxycholesterol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.329045274 u
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-23,25,28-29H,5-7,9-16H2,1-4H3
InChIKey YEQXDBHOLDZYQY-UHFFFAOYSA-N
Molecular Weight 416.646 g/mol
SMILES C1C(CC=2C(C1)(C1CCC3(C(C1CC2)CC(C3C(C)CCCC(CO)C)=O)C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913517