Np mrd loader

Record Information
Version2.0
Created at2022-12-08 18:49:27 UTC
Updated at2024-09-03 04:14:52 UTC
NP-MRD IDNP0331201
Natural Product DOIhttps://doi.org/10.57994/0071
Secondary Accession NumbersNone
Natural Product Identification
Common Namecolletotrichumolide
Description colletotrichumolide was first documented in 2022 (PMID: 36521009).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC31H54NO6P
Average Mass567.7480 Da
Monoisotopic Mass567.36888 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
C[C@H]1C\C=C\CC\C=C\CCCC\C=C\CC\C=C\CCCCC(CC(=O)O1)OP([O-])(=O)OCC[N+](C)(C)C
InChI Identifier
InChI=1S/C31H54NO6P/c1-29-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-30(28-31(33)37-29)38-39(34,35)36-27-26-32(2,3)4/h7,9,12,14-15,17,20,22,29-30H,5-6,8,10-11,13,16,18-19,21,23-28H2,1-4H3/b9-7+,14-12+,17-15+,22-20+/t29-,30?/m0/s1
InChI KeySDTYIRUFQGPYKD-AHZRPXGESA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HMBC NMR[1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2023-01-12View Spectrum
1D NMR13C NMR Spectrum (1D, 214 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2023-01-12View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2023-01-12View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2023-01-12View Spectrum
TOCSY NMR[1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2023-01-12View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2023-01-12View Spectrum
1D NMR1H NMR Spectrum (1D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2023-01-12View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2023-01-12View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2024-05-11View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 214 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2024-05-11View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2024-05-11View Spectrum
TOCSY NMR[1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2024-05-11View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2024-05-11View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2024-05-11View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2022-12-08View Spectrum
1D NMR13C NMR Spectrum (1D, 214 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2022-12-08View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2022-12-08View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2022-12-08View Spectrum
TOCSY NMR[1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2022-12-08View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2022-12-08View Spectrum
1D NMR1H NMR Spectrum (1D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2022-12-08View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental)rliningt@sfu.caNot AvailableNot Available2022-12-08View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, simulated)rliningt@sfu.caSimon Fraser UniversityRoger Linington2024-05-11View Spectrum
Species
Species of Origin
Species NameSourceReference
sp.
      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