Pseurotin A

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Systematic / IUPAC Name: (5S,8S,9R)-8-Benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione

ID: Reference5860

Other Names: Pseurotin;
NSC 348694

Formula: C22H25NO8

Class: Endogenous Metabolites

Spectral Data

Pseurotin A 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 10/31/2016 8:20:40 AM
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Identificators

InChI InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15-,19+,21+,22+/m0/s1
InChI Key SLYDIPAXCVVRNY-UOWMTANKSA-N
Canonical SMILES CCC=CC(C(C1=C(C(=O)C2(O1)C(C(NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C)O)O
CAS 58523301
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Other Names Pseurotin;
NSC 348694

In Other Databases

Wikipedia Pseurotin A
PubChem 9845622
ChEBI CHEBI:64535
ChEMBL CHEMBL253179
ChemSpider 8021336