Record Information |
---|
Version | 2.0 |
---|
Created at | 2024-05-03 08:34:31 UTC |
---|
Updated at | 2024-09-03 04:20:56 UTC |
---|
NP-MRD ID | NP0333012 |
---|
Natural Product DOI | https://doi.org/10.57994/2305 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Phascolosomine D |
---|
Description | Phascolosomine D was first documented in 2024 (PMID: 38430199). Based on a literature review very few articles have been published on Phascolosomine D. |
---|
Structure | CC(C)CC\C=C(\C)C(=O)NCCCCNC(N)=[NH2+] InChI=1S/C14H28N4O/c1-11(2)7-6-8-12(3)13(19)17-9-4-5-10-18-14(15)16/h8,11H,4-7,9-10H2,1-3H3,(H,17,19)(H4,15,16,18)/p+1/b12-8- |
---|
Synonyms | Not Available |
---|
Chemical Formula | C14H29N4O |
---|
Average Mass | 269.4120 Da |
---|
Monoisotopic Mass | 269.23359 Da |
---|
IUPAC Name | [amino({4-[(2Z)-2,6-dimethylhept-2-enamido]butyl}amino)methylidene]azanium |
---|
Traditional Name | [amino({4-[(2Z)-2,6-dimethylhept-2-enamido]butyl}amino)methylidene]azanium |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC(C)CC\C=C(\C)C(=O)NCCCCNC(N)=[NH2+] |
---|
InChI Identifier | InChI=1S/C14H28N4O/c1-11(2)7-6-8-12(3)13(19)17-9-4-5-10-18-14(15)16/h8,11H,4-7,9-10H2,1-3H3,(H,17,19)(H4,15,16,18)/p+1/b12-8- |
---|
InChI Key | UUXXJFWXFCCBOT-WQLSENKSSA-O |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
ROESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | laurence.jennings@universityofgalway.ie | University of Galway | Laurence K. Jennings | 2024-05-03 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | laurence.jennings@universityofgalway.ie | University of Galway | Laurence K. Jennings | 2024-05-03 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | laurence.jennings@universityofgalway.ie | University of Galway | Laurence K. Jennings | 2024-05-03 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | laurence.jennings@universityofgalway.ie | University of Galway | Laurence K. Jennings | 2024-05-03 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | laurence.jennings@universityofgalway.ie | University of Galway | Laurence K. Jennings | 2024-05-03 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | laurence.jennings@universityofgalway.ie | University of Galway | Laurence K. Jennings | 2024-05-03 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Species Name | Source | Reference |
---|
Granulatum | | |
|
---|
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 | |
---|