(2S,3S)-2-[(1E,3S,4S)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate

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Systematic / IUPAC Name: {(2S,3S)-2-[(E,3S,4S)-3,4-Dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl} (E)-2-methylbut-2-enoate

ID: Reference7992

Other Names: Phomopsolide B;
2-Butenoic acid, 2-methyl-, (2S,3S)-2-[(1E,3S,4S)-3,4-dihydroxy-1-penten-1-yl]-3,6-dihydro-6-oxo-2H-pyran-3-yl ester, (2E)-

Formula: C15H20O6

Spectral Data

(2S,3S)-2-[(1E,3S,4S)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate 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
No. of Spectral Trees 1
No. of Spectra 62
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2018 12:09:18 PM
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Identificators

InChI InChI=1S/C15H20O6/c1-4-9(2)15(19)21-13-7-8-14(18)20-12(13)6-5-11(17)10(3)16/h4-8,10-13,16-17H,1-3H3/b6-5+,9-4+/t10-,11-,12-,13-/m0/s1
InChI Key JTHHOHSDOJJNFN-HIWLEQICSA-N
Canonical SMILES CC=C(C)C(=O)OC1C=CC(=O)OC1C=CC(C(C)O)O
CAS
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Other Names Phomopsolide B;
2-Butenoic acid, 2-methyl-, (2S,3S)-2-[(1E,3S,4S)-3,4-dihydroxy-1-penten-1-yl]-3,6-dihydro-6-oxo-2H-pyran-3-yl ester, (2E)-

In Other Databases

ChEMBL CHEMBL464205
ChemIDPlus 097529845
ChemSpider 4946262
PubChem 6442165