| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2022-11-16 21:39:58 UTC |
|---|
| Updated at | 2024-09-03 04:15:32 UTC |
|---|
| NP-MRD ID | NP0331132 |
|---|
| Natural Product DOI | https://doi.org/10.57994/0299 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | Stigolone |
|---|
| Description | Stigolone was first documented in 2022 (PMID: 35142496). |
|---|
| Structure | [H][C@@]1(C[C@]2([H])C(C)=CC(=O)C[C@@]2(C)[C@H](O)[C@@H]1O)C(C)=C InChI=1S/C15H22O3/c1-8(2)11-6-12-9(3)5-10(16)7-15(12,4)14(18)13(11)17/h5,11-14,17-18H,1,6-7H2,2-4H3/t11-,12-,13-,14-,15-/m1/s1 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C15H22O3 |
|---|
| Average Mass | 250.3380 Da |
|---|
| Monoisotopic Mass | 250.15689 Da |
|---|
| IUPAC Name | Not Available |
|---|
| Traditional Name | Not Available |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H][C@@]1(C[C@]2([H])C(C)=CC(=O)C[C@@]2(C)[C@H](O)[C@@H]1O)C(C)=C |
|---|
| InChI Identifier | InChI=1S/C15H22O3/c1-8(2)11-6-12-9(3)5-10(16)7-15(12,4)14(18)13(11)17/h5,11-14,17-18H,1,6-7H2,2-4H3/t11-,12-,13-,14-,15-/m1/s1 |
|---|
| InChI Key | CNSUTHNYYDBCKA-KJWHEZOQSA-N |
|---|
| Experimental Spectra |
|---|
|
| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
|---|
| 1D_TOCSY NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum |
| | Predicted Spectra |
|---|
|
| Not Available | | Chemical Shift Submissions |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | | Species Name | Source | Reference |
|---|
| sp. U-3-3 | | |
|
|---|
| 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 | |
|---|
