Np mrd loader

Record Information
Version1.0
Created at2022-12-22 20:47:27 UTC
Updated at2024-04-19 09:38:02 UTC
NP-MRD IDNP0331340
Secondary Accession NumbersNone
Natural Product Identification
Common NamePersicamidine D
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC48H76N2O10
Average Mass841.1400 Da
Monoisotopic Mass840.55000 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CO[C@@H]1C[C@H](O[C@H]2C[C@](C)(CO)[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@@H]6[C@H](CC(=O)[C@]7(C)C8=COC(N[C@H](C)C(C)(C)C)=N[C@]8(C)[C@@H](O)[C@@H]8O[C@]678)[C@@]5(C)CC[C@@H]4[C@@]3(C)[C@@H]2O)O[C@H](C)[C@H]1O
InChI Identifier
InChI=1S/C48H76N2O10/c1-24-36(53)28(56-12)20-35(58-24)59-29-21-42(6,23-51)30-15-18-44(8)31-14-13-26-27(43(31,7)17-16-32(44)45(30,9)37(29)54)19-34(52)46(10)33-22-57-40(49-25(2)41(3,4)5)50-47(33,11)38(55)39-48(26,46)60-39/h22,24-32,35-39,51,53-55H,13-21,23H2,1-12H3,(H,49,50)/t24-,25-,26-,27+,28-,29+,30+,31-,32+,35+,36-,37-,38+,39+,42-,43-,44+,45+,46+,47+,48+/m1/s1
InChI KeyKAFRXOISYQXRHG-NYVJWTKQSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HSQC NMR[1H, 13C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)amninder.kaur@helmholtz-hips.deNot AvailableNot Available2022-12-22View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 176 MHz, CD3OD, experimental)amninder.kaur@helmholtz-hips.deNot AvailableNot Available2022-12-22View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)amninder.kaur@helmholtz-hips.deNot AvailableNot Available2022-12-22View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)amninder.kaur@helmholtz-hips.deNot AvailableNot Available2022-12-22View Spectrum
NMR[1H, 1H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)amninder.kaur@helmholtz-hips.deNot AvailableNot Available2022-12-22View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)amninder.kaur@helmholtz-hips.deNot AvailableNot Available2022-12-22View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 700 MHz, C3D6O, experimental)amninder.kaur@helmholtz-hips.deNot 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