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Cholesta-5,7,24-trien-3-yl acetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Cholesta-5,7,24-trien-3-yl acetate
SpectraBase Compound ID LLLMkHQAWhe
InChI InChI=1S/C29H44O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8,10-11,20,23,25-27H,7,9,12-18H2,1-6H3
InChIKey WFHCSLLFMHBWFL-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C29H44O2
Exact Mass 424.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JWoU4INIOxH
Name Cholesta-5,7,24-trien-3-yl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.334130655 u
Formula C29H44O2
InChI InChI=1S/C29H44O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8,10-11,20,23,25-27H,7,9,12-18H2,1-6H3
InChIKey WFHCSLLFMHBWFL-UHFFFAOYSA-N
Molecular Weight 424.669 g/mol
SMILES C1(CCC2(C(C1)=CC=C1C2CCC2(C1CCC2C(CCC=C(C)C)C)C)C)OC(=O)C