| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2022-12-08 18:49:27 UTC |
|---|
| Updated at | 2024-09-03 04:14:52 UTC |
|---|
| NP-MRD ID | NP0331201 |
|---|
| Natural Product DOI | https://doi.org/10.57994/0071 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | colletotrichumolide |
|---|
| Description | colletotrichumolide was first documented in 2022 (PMID: 36521009). |
|---|
| Structure | 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=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 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C31H54NO6P |
|---|
| Average Mass | 567.7480 Da |
|---|
| Monoisotopic Mass | 567.36888 Da |
|---|
| IUPAC Name | Not Available |
|---|
| Traditional Name | Not Available |
|---|
| CAS Registry Number | Not 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 Key | SDTYIRUFQGPYKD-AHZRPXGESA-N |
|---|
| Experimental Spectra |
|---|
|
| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
|---|
| HMBC NMR | [1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2023-01-12 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 214 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2023-01-12 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2023-01-12 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2023-01-12 | View Spectrum | | TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2023-01-12 | View Spectrum | | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2023-01-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2023-01-12 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2023-01-12 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2024-05-11 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2024-05-11 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 214 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2024-05-11 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2024-05-11 | View Spectrum | | TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2024-05-11 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2024-05-11 | View Spectrum | | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2024-05-11 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2024-05-11 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2022-12-08 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 214 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2022-12-08 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2022-12-08 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2022-12-08 | View Spectrum | | TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2022-12-08 | View Spectrum | | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2022-12-08 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2022-12-08 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 850 MHz, CD3OD, experimental) | rliningt@sfu.ca | Not Available | Not Available | 2022-12-08 | View Spectrum |
| | Predicted Spectra |
|---|
|
| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
|---|
| | Chemical Shift Submissions |
|---|
|
| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
|---|
| 1D NMR | 1H NMR Spectrum (1D, simulated) | rliningt@sfu.ca | Simon Fraser University | Roger Linington | 2024-05-11 | View Spectrum |
| | Species |
|---|
| Species of Origin | | Species Name | Source | Reference |
|---|
| Moorena sp. | | |
|
|---|
| Chemical Taxonomy |
|---|
| Classification | Not classified |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|