Np mrd loader

Record Information
Version1.0
Created at2024-04-22 17:47:04 UTC
Updated at2024-04-22 17:51:21 UTC
NP-MRD IDNP0332818
Secondary Accession NumbersNone
Natural Product Identification
Common NameElasnin B3
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC25H42O4
Average Mass406.6070 Da
Monoisotopic Mass406.30831 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CCCCCC(=O)C(CCCC)C1=C(CCCC)C(O)=C(CCC(C)C)C(=O)O1
InChI Identifier
InChI=1/C25H42O4/c1-6-9-12-15-22(26)19(13-10-7-2)24-20(14-11-8-3)23(27)21(25(28)29-24)17-16-18(4)5/h18-19,27H,6-17H2,1-5H3
InChI KeyRJRQHZHNNTYAQM-UHFFFAOYNA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HMBC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)islam.amin@riken.jpRIEKNIslam Adel Abdelhakim Amin2024-04-22View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)islam.amin@riken.jpRIEKNIslam Adel Abdelhakim Amin2024-04-22View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)islam.amin@riken.jpRIEKNIslam Adel Abdelhakim Amin2024-04-22View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)islam.amin@riken.jpRIEKNIslam Adel Abdelhakim Amin2024-04-22View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)islam.amin@riken.jpRIEKNIslam Adel Abdelhakim Amin2024-04-22View Spectrum
NOESY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)islam.amin@riken.jpRIEKNIslam Adel Abdelhakim Amin2024-04-22View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)islam.amin@riken.jpRIEKNIslam Adel Abdelhakim Amin2024-04-22View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
RK18-A0406
      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