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Cholestan-5-ol-6-one
SpectraBase Compound ID JYutpvvVvtn
InChI InChI=1S/C27H46O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3
InChIKey AYXDXVGGAIDTQI-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 78iCLUWBrPc
Name Cholestan-5-ol-6-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.349780719 u
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3
InChIKey AYXDXVGGAIDTQI-UHFFFAOYSA-N
Molecular Weight 402.663 g/mol
SMILES C1(=O)CC2C3C(C)(C(C(CCCC(C)C)C)CC3)CCC2C2(C1(O)CCCC2)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923203