Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-06-22 17:17:45 UTC |
---|
Updated at | 2021-06-22 17:17:45 UTC |
---|
NP-MRD ID | NP0043790 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 1-Formamido-10(1‚Üí2)-abeopupukeanane |
---|
Description | 1-Formamido-10(1‚Üí2)-abeopupukeanane is found in Phyllidia coelestis. It was first documented in 2013 (PMID: 24200393). |
---|
Structure | [H][C@]12C[C@]3([H])[C@](C)(C[C@@H]1C(C)C)[C@@]2([H])CC[C@@]3(C)NC=O InChI=1S/C16H27NO/c1-10(2)12-8-15(3)13-5-6-16(4,17-9-18)14(15)7-11(12)13/h9-14H,5-8H2,1-4H3,(H,17,18)/t11-,12+,13-,14+,15+,16+/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C16H27NO |
---|
Average Mass | 249.3980 Da |
---|
Monoisotopic Mass | 249.20926 Da |
---|
IUPAC Name | N-[(1R,2S,5R,6R,8S,9R)-1,5-dimethyl-9-(propan-2-yl)tricyclo[4.4.0.0^{2,8}]decan-5-yl]formamide |
---|
Traditional Name | N-[(1R,2S,5R,6R,8S,9R)-9-isopropyl-1,5-dimethyltricyclo[4.4.0.0^{2,8}]decan-5-yl]formamide |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H][C@]12C[C@]3([H])[C@](C)(C[C@@H]1C(C)C)[C@@]2([H])CC[C@@]3(C)NC=O |
---|
InChI Identifier | InChI=1S/C16H27NO/c1-10(2)12-8-15(3)13-5-6-16(4,17-9-18)14(15)7-11(12)13/h9-14H,5-8H2,1-4H3,(H,17,18)/t11-,12+,13-,14+,15+,16+/m0/s1 |
---|
InChI Key | PDLPLWDSKGNXJE-LFTMDZKFSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 125 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 250 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 175 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 225 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
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 | |
---|