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Ergosta-5,7,25(27)-trienol

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

Ergosta-5,7,25(27)-trienol
SpectraBase Compound ID HqfbVgr3J9U
InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,19-20,22,24-26,29H,1,7-8,11-17H2,2-6H3
InChIKey PGXBPZOLWUELLV-UHFFFAOYSA-N
Mol Weight 396.7 g/mol
Molecular Formula C28H44O
Exact Mass 396.339216 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5cxpDJOehpn
Name Ergosta-5,7,25(27)-trienol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.339216036 u
Formula C28H44O
InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,19-20,22,24-26,29H,1,7-8,11-17H2,2-6H3
InChIKey PGXBPZOLWUELLV-UHFFFAOYSA-N
Molecular Weight 396.659 g/mol
SMILES C1(CCC2(C(C1)=CC=C1C2CCC2(C1CCC2C(CCC(C(C)=C)C)C)C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922362