3-[Hydroxy(phenyl)methyl]-4-[(1-methyl-1H-imidazol-5-yl)methyl]tetrahydrofuran-2-one

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Systematic / IUPAC Name: 3-[Hydroxy(phenyl)methyl]-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydro-2(3H)-furanone

ID: Reference3800

Other Names: Isopilosine;
Pilosine;
{3R-[3α(R*),4α]}-3-(α-Hydroxybenzyl)-4-[(1-methylimidazol-5-yl)methyl]dihydrofuran-2(3H)-one ;
2(3H)-Furanone, dihydro-3-(hydroxyphenylmethyl)-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, {3R-[3α(R*),4α]}- ;
3-(Hydroxy(phenyl)methyl)-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydro-2(3H)-furanone

Formula: C16H18N2O3

Spectral Data

3-[Hydroxy(phenyl)methyl]-4-[(1-methyl-1H-imidazol-5-yl)methyl]tetrahydrofuran-2-one 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/11/2016 12:16:54 PM
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Identificators

InChI InChI=1S/C16H18N2O3/c1-18-10-17-8-13(18)7-12-9-21-16(20)14(12)15(19)11-5-3-2-4-6-11/h2-6,8,10,12,14-15,19H,7,9H2,1H3
InChI Key DZOVBAVEJYPSLL-UHFFFAOYSA-N
Canonical SMILES CN1C=NC=C1CC2COC(=O)C2C(C3=CC=CC=C3)O
CAS 13640283
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Other Names Isopilosine;
Pilosine;
{3R-[3α(R*),4α]}-3-(α-Hydroxybenzyl)-4-[(1-methylimidazol-5-yl)methyl]dihydrofuran-2(3H)-one ;
2(3H)-Furanone, dihydro-3-(hydroxyphenylmethyl)-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, {3R-[3α(R*),4α]}- ;
3-(Hydroxy(phenyl)methyl)-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydro-2(3H)-furanone

In Other Databases

ChemIDPlus 013640283
PubChem 114553
ChEMBL CHEMBL1974385
ChemSpider 102604