Np mrd loader

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Record Information
Version1.0
Created at2023-03-18 16:00:59 UTC
Updated at2023-03-18 16:02:26 UTC
NP-MRD IDNP0331559
Secondary Accession NumbersNone
Natural Product Identification
Common NameCommunesin P
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC28H30N4O2
Average Mass454.5740 Da
Monoisotopic Mass454.23688 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@]12NC3=C(C=CC=C3)[C@@]34CCN(C(C)=O)C3([H])N3CC[C@]14C1=C(C=CC=C1N2C=O)[C@@]3([H])C=C(C)C
InChI Identifier
InChI=1S/C28H30N4O2/c1-17(2)15-23-19-7-6-10-22-24(19)28-12-14-31(23)26-27(28,11-13-30(26)18(3)34)20-8-4-5-9-21(20)29-25(28)32(22)16-33/h4-10,15-16,23,25-26,29H,11-14H2,1-3H3/t23-,25-,26?,27+,28+/m1/s1
InChI KeyJQDDKHXGBQWWRQ-NZGLNJQNSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
NOESY NMR[1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)catherine.roullier@univ-nantes.frNot AvailableNot Available2023-03-18View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental)catherine.roullier@univ-nantes.frNot AvailableNot Available2023-03-18View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)catherine.roullier@univ-nantes.frNot AvailableNot Available2023-03-18View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)catherine.roullier@univ-nantes.frNot AvailableNot Available2023-03-18View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)catherine.roullier@univ-nantes.frNot AvailableNot Available2023-03-18View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)catherine.roullier@univ-nantes.frNot AvailableNot Available2023-03-18View 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