Pestalotin

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Systematic / IUPAC Name: (2S)-2-[(1S)-1-Hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one

ID: Reference7734

Other Names: (6S)-6-[(1S)-1-Hydroxypentyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one;
2H-Pyran-2-one, 5,6-dihydro-6-[(1S)-1-hydroxypentyl]-4-methoxy-, (6S)-

Formula: C11H18O4

Spectral Data

Pestalotin 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 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/9/2018 10:57:08 AM
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Identificators

InChI InChI=1S/C11H18O4/c1-3-4-5-9(12)10-6-8(14-2)7-11(13)15-10/h7,9-10,12H,3-6H2,1-2H3/t9-,10-/m0/s1
InChI Key YFIMUDXPJZVJJO-UWVGGRQHSA-N
Canonical SMILES CCCCC(C1CC(=CC(=O)O1)OC)O
CAS
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Other Names (6S)-6-[(1S)-1-Hydroxypentyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one;
2H-Pyran-2-one, 5,6-dihydro-6-[(1S)-1-hydroxypentyl]-4-methoxy-, (6S)-

In Other Databases

PubChem 182201
ChemSpider 158465
ChemIDPlus 034565327