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Record Information
Version1.0
Created at2024-04-26 20:45:08 UTC
Updated at2024-04-28 18:21:12 UTC
NP-MRD IDNP0332850
Secondary Accession NumbersNone
Natural Product Identification
Common NamePaecillin D
Description Based on a literature review very few articles have been published on methyl (2S)-5-hydroxy-6-[(2S)-5-hydroxy-2-(methoxycarbonyl)-2-[(2R,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]-2-[(2R,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-2-carboxylate.
Structure
Thumb
Synonyms
ValueSource
Methyl (2S)-5-hydroxy-6-[(2S)-5-hydroxy-2-(methoxycarbonyl)-2-[(2R,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]-2-[(2R,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-2-carboxylic acidGenerator
Chemical FormulaC32H30O14
Average Mass638.5780 Da
Monoisotopic Mass638.16356 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@]1(OC(=O)C[C@@H]1C)[C@]1(CC(=O)C2=C(O1)C=CC(=C2O)C1=C(O)C2=C(O[C@@](CC2=O)(C(=O)OC)[C@]2([H])OC(=O)C[C@@H]2C)C=C1)C(=O)OC
InChI Identifier
InChI=1S/C32H30O14/c1-13-9-21(35)43-27(13)31(29(39)41-3)11-17(33)23-19(45-31)7-5-15(25(23)37)16-6-8-20-24(26(16)38)18(34)12-32(46-20,30(40)42-4)28-14(2)10-22(36)44-28/h5-8,13-14,27-28,37-38H,9-12H2,1-4H3/t13-,14-,27+,28+,31+,32+/m0/s1
InChI KeyOYMCWIDGOVGEEJ-MAVLABDMSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)moysesaraujo@ufam.edu.brFederal University of AmazonasMoysés Batista de Araújo Júnior2024-04-26View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)moysesaraujo@ufam.edu.brFederal University of AmazonasMoysés Batista de Araújo Júnior2024-04-26View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Talaromyces sp. VrTrb2 1.1
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound163064408
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available