Np mrd loader

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Record Information
Version1.0
Created at2024-04-20 00:38:09 UTC
Updated at2024-04-28 18:20:19 UTC
NP-MRD IDNP0332779
Secondary Accession NumbersNone
Natural Product Identification
Common Namedrymariamide E
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC41H59N9O11
Average Mass853.9750 Da
Monoisotopic Mass853.43340 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@@]12NC3=C(C=CC=C3)[C@]1(O)C[C@@H]1N2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)CNC1=O
InChI Identifier
InChI=1S/C41H59N9O11/c1-21(2)15-25-37(58)48-13-7-12-30(48)36(57)46-27(19-51)33(54)44-26(16-22(3)4)39(60)50-31(17-41(61)23-9-5-6-10-24(23)47-40(41)50)34(55)42-18-32(53)43-28(20-52)38(59)49-14-8-11-29(49)35(56)45-25/h5-6,9-10,21-22,25-31,40,47,51-52,61H,7-8,11-20H2,1-4H3,(H,42,55)(H,43,53)(H,44,54)(H,45,56)(H,46,57)/t25-,26-,27-,28-,29-,30-,31-,40-,41+/m0/s1
InChI KeyOSWAOHZSYRPSAO-ROGITVPYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D_DEPT NMR13C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)s19-zhangzongyi@simm.ac.cnSIMM, CASzzy9706182024-04-20View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)s19-zhangzongyi@simm.ac.cnSIMM, CASzzy9706182024-04-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)s19-zhangzongyi@simm.ac.cnSIMM, CASzzy9706182024-04-20View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)s19-zhangzongyi@simm.ac.cnSIMM, CASzzy9706182024-04-20View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)s19-zhangzongyi@simm.ac.cnSIMM, CASzzy9706182024-04-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)s19-zhangzongyi@simm.ac.cnSIMM, CASzzy9706182024-04-20View Spectrum
MLEV NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)s19-zhangzongyi@simm.ac.cnSIMM, CASzzy9706182024-04-20View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)s19-zhangzongyi@simm.ac.cnSIMM, CASzzy9706182024-04-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Drymaria cordata
      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