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Record Information
Version1.0
Created at2022-12-23 12:09:59 UTC
Updated at2022-12-23 12:10:35 UTC
NP-MRD IDNP0331402
Secondary Accession NumbersNone
Natural Product Identification
Common NameEnceleamycin C
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC17H14O7
Average Mass330.2920 Da
Monoisotopic Mass330.07395 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H]C(=O)[C@@]1(O)[C@@H](C)O[C@]2([H])C3=C(O[C@]12C)C(=O)C1=C(O)C([H])=C([H])C([H])=C1C3=O
InChI Identifier
InChI=1S/C17H14O7/c1-7-17(22,6-18)16(2)15(23-7)11-12(20)8-4-3-5-9(19)10(8)13(21)14(11)24-16/h3-7,15,19,22H,1-2H3/t7-,15-,16+,17-/m1/s1
InChI KeyBXNOHPZTDIWHFB-GTPJKNLHSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HMBC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)sg.dastager@ncl.res.inNot AvailableNot Available2022-12-23View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)sg.dastager@ncl.res.inNot AvailableNot Available2022-12-23View Spectrum
NOESY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, CH3OH, experimental)sg.dastager@ncl.res.inNot AvailableNot Available2022-12-23View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)sg.dastager@ncl.res.inNot AvailableNot Available2022-12-23View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 126 MHz, CD3CN, experimental)sg.dastager@ncl.res.inNot AvailableNot Available2022-12-23View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 126 MHz, CD3OD, experimental)sg.dastager@ncl.res.inNot AvailableNot Available2022-12-23View Spectrum
Predicted Spectra
Not Available
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