Np mrd loader

Record Information
Version2.0
Created at2022-12-23 08:34:31 UTC
Updated at2024-09-03 04:15:37 UTC
NP-MRD IDNP0331384
Natural Product DOIhttps://doi.org/10.57994/0332
Secondary Accession NumbersNone
Natural Product Identification
Common NameTongalide C
Description Tongalide C was first documented in 2022 (PMID: 35771948).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC9H12BrIO4
Average Mass390.9990 Da
Monoisotopic Mass389.89637 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CCC[C@@H](O)C1=C(Br)C(O)(CI)OC1=O
InChI Identifier
InChI=1S/C9H12BrIO4/c1-2-3-5(12)6-7(10)9(14,4-11)15-8(6)13/h5,12,14H,2-4H2,1H3/t5-,9?/m1/s1
InChI KeyYWGQWCLYKSDOEN-RRPHZQQHSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HSQC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)joe_bracegirdle@live.comNot AvailableNot Available2022-12-23View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)joe_bracegirdle@live.comNot AvailableNot Available2022-12-23View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)joe_bracegirdle@live.comNot AvailableNot Available2022-12-23View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)joe_bracegirdle@live.comNot AvailableNot Available2022-12-23View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)joe_bracegirdle@live.comNot AvailableNot Available2022-12-23View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
sp.
      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
External LinksNot Available
References
General ReferencesNot Available