Np mrd loader

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Record Information
Version1.0
Created at2022-10-24 20:18:07 UTC
Updated at2022-12-22 20:22:23 UTC
NP-MRD IDNP0331095
Secondary Accession NumbersNone
Natural Product Identification
Common NameSymphyocladin P
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC22H26N2O5
Average Mass398.4590 Da
Monoisotopic Mass398.18417 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@]12C[C@@H]([C@@H](CN1CC[C@@]21C(=O)NC2=CC=CC(O)=C12)C=C)C(=C/OC)\C(=O)OC
InChI Identifier
InChI=1S/C22H26N2O5/c1-4-13-11-24-9-8-22(19-16(23-21(22)27)6-5-7-17(19)25)18(24)10-14(13)15(12-28-2)20(26)29-3/h4-7,12-14,18,25H,1,8-11H2,2-3H3,(H,23,27)/b15-12+/t13-,14+,18-,22-/m1/s1
InChI KeyZAGQCSXJMXZCJN-UKBVIRROSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR[1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)r.capon@imb.uq.edu.auNot AvailableNot Available2022-12-22View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)r.capon@imb.uq.edu.auNot AvailableNot Available2022-12-22View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)r.capon@imb.uq.edu.auNot AvailableNot Available2022-12-22View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)r.capon@imb.uq.edu.auNot AvailableNot Available2022-12-22View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)r.capon@imb.uq.edu.auNot AvailableNot Available2022-12-22View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental)r.capon@imb.uq.edu.auNot AvailableNot Available2022-12-22View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)r.capon@imb.uq.edu.auNot AvailableNot Available2022-12-22View 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