Isophytol

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Systematic / IUPAC Name: 3,7,11,15-Tetramethylhexadec-1-en-3-ol

ID: Reference13972

Other Names: AA-4539

Formula: C20H40O

Class: Endogenous Metabolites

Spectral Data

Isophytol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 7/2/2026 12:37:19 PM
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Identificators

InChI InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
InChI Key KEVYVLWNCKMXJX-UHFFFAOYSA-N
Canonical SMILES C=CC(C)(O)CCCC(C)CCCC(C)CCCC(C)C
CAS
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Other Names AA-4539

In Other Databases

PubChem 10453; 10453
ChemSpider 10021
ChEMBL CHEMBL453797