Np mrd loader

Record Information
Version2.0
Created at2022-12-23 00:35:02 UTC
Updated at2024-09-03 04:15:29 UTC
NP-MRD IDNP0331355
Natural Product DOIhttps://doi.org/10.57994/0286
Secondary Accession NumbersNone
Natural Product Identification
Common NameCalliistephu F
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC13H14O4
Average Mass234.2510 Da
Monoisotopic Mass234.08921 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CC(CO)C1=CC2=CC(O)=C(C=C2O1)C(C)=O
InChI Identifier
InChI=1S/C13H14O4/c1-7(6-14)12-4-9-3-11(16)10(8(2)15)5-13(9)17-12/h3-5,7,14,16H,6H2,1-2H3
InChI KeyUEYZNJYNANNVPN-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)1229716051@qq.comNot AvailableNot Available2022-12-23View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)1229716051@qq.comNot AvailableNot Available2022-12-23View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)1229716051@qq.comNot AvailableNot Available2022-12-23View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)1229716051@qq.comNot AvailableNot Available2022-12-23View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
Chemical Shift Submissions
Not Available
Species
Species of OriginNot 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
External LinksNot Available
References
General ReferencesNot Available