5-Henicosyl-1,3-benzenediol

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Systematic / IUPAC Name: 5-Henicosylbenzene-1,3-diol

ID: Reference7668

Other Names: 5-Heneicosylresorcinol;
1,3-Benzenediol, 5-heneicosyl-;
5-Heneicosyl-1,3-benzenediol

Formula: C27H48O2

Spectral Data

5-Henicosyl-1,3-benzenediol 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 Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 134
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/29/2018 11:48:53 AM
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Identificators

InChI InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3
InChI Key BLHLKJLSYHEOGY-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
CAS
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Other Names 5-Heneicosylresorcinol;
1,3-Benzenediol, 5-heneicosyl-;
5-Heneicosyl-1,3-benzenediol

In Other Databases

ChEMBL CHEMBL1795554
ChemSpider 136952
HMDb HMDB31035
PubChem 155461
ChemIDPlus 070110597