Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-12-23 12:09:59 UTC |
---|
Updated at | 2024-09-03 04:15:39 UTC |
---|
NP-MRD ID | NP0331402 |
---|
Natural Product DOI | https://doi.org/10.57994/0351 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Enceleamycin C |
---|
Description | Enceleamycin C was first documented in 2022 (PMID: 35486880). |
---|
Structure | [H]C(=O)[C@@]1(O)[C@@H](C)O[C@]2([H])C3=C(O[C@]12C)C(=O)C1=C(O)C([H])=C([H])C([H])=C1C3=O InChI=1S/C17H14O7/c1-7-17(22,6-18)16(2)15(23-7)11-12(20)8-4-3-5-9(19)10(8)13(21)14(11)24-16/h3-7,15,19,22H,1-2H3/t7-,15-,16+,17-/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C17H14O7 |
---|
Average Mass | 330.2920 Da |
---|
Monoisotopic Mass | 330.07395 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H]C(=O)[C@@]1(O)[C@@H](C)O[C@]2([H])C3=C(O[C@]12C)C(=O)C1=C(O)C([H])=C([H])C([H])=C1C3=O |
---|
InChI Identifier | InChI=1S/C17H14O7/c1-7-17(22,6-18)16(2)15(23-7)11-12(20)8-4-3-5-9(19)10(8)13(21)14(11)24-16/h3-7,15,19,22H,1-2H3/t7-,15-,16+,17-/m1/s1 |
---|
InChI Key | BXNOHPZTDIWHFB-GTPJKNLHSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2024-05-12 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2024-05-12 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, FAILED_TO_DETECT, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2024-05-12 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3CN, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3CN, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2024-05-12 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2022-12-23 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2022-12-23 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CH3OH, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2022-12-23 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3CN, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2022-12-23 | View Spectrum |
| Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Species Name | Source | Reference |
---|
sp. MCC 0218 | | |
|
---|
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 | |
---|