Np mrd loader

Record Information
Version2.0
Created at2024-04-19 21:57:05 UTC
Updated at2024-09-16 20:04:45 UTC
NP-MRD IDNP0332754
Natural Product DOIhttps://doi.org/10.57994/2020
Secondary Accession NumbersNone
Natural Product Identification
Common Name2,3-α-epoxypalmarumycin CP18
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC20H12O6
Average Mass348.3100 Da
Monoisotopic Mass348.06339 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
O[C@H]1[C@H]2O[C@H]2C2(OC3=CC=CC4=C3C(O2)=CC=C4)C2=C1C(=O)C=CC2=O
InChI Identifier
InChI=1S/C20H12O6/c21-10-7-8-11(22)16-15(10)17(23)18-19(24-18)20(16)25-12-5-1-3-9-4-2-6-13(26-20)14(9)12/h1-8,17-19,23H/t17-,18-,19-/m1/s1
InChI KeyALDVZDQWDDOYOL-GUDVDZBRSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HMBC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)hmasaru@hirosaki-u.ac.jpHIrosaki Univ.Masaru Hashimoto2024-04-05View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)hmasaru@hirosaki-u.ac.jpHIrosaki Univ.Masaru Hashimoto2024-04-05View Spectrum
HMQC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)hmasaru@hirosaki-u.ac.jpHIrosaki Univ.Masaru Hashimoto2024-04-05View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)hmasaru@hirosaki-u.ac.jpHIrosaki Univ.Masaru Hashimoto2024-04-05View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, CDCL3, experimental)hmasaru@hirosaki-u.ac.jpHIrosaki Univ.Masaru Hashimoto2024-04-05View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 500, CDCl3, simulated)hmasaru@hirosaki-u.ac.jpHIrosaki Univ.Masaru Hashimoto2024-04-05View Spectrum
Species
Species of Origin
Species NameSourceReference
sp. KT4147
      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