| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2025-07-11 12:52:02 UTC |
|---|
| Updated at | 2025-07-13 00:03:31 UTC |
|---|
| NP-MRD ID | NP0351310 |
|---|
| Natural Product DOI | https://doi.org/10.57994/4302 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | 3-hydroxymethyl conopharyngine |
|---|
| Description | 3-hydroxymethyl conopharyngine was first documented in 2025 (PMID: 40544889). Based on a literature review very few articles have been published on 3-hydroxymethyl conopharyngine. |
|---|
| Structure | [H][C@]1(CC)C[C@]2([H])C[C@@]3(C(=O)OC)C4=C(CCN([C@]2([H])CO)[C@@]13[H])C1=CC(OC)=C(OC)C=C1N4 InChI=1S/C24H32N2O5/c1-5-13-8-14-11-24(23(28)31-4)21-15(6-7-26(22(13)24)18(14)12-27)16-9-19(29-2)20(30-3)10-17(16)25-21/h9-10,13-14,18,22,25,27H,5-8,11-12H2,1-4H3/t13-,14+,18+,22-,24+/m0/s1 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C24H32N2O5 |
|---|
| Average Mass | 428.5290 Da |
|---|
| Monoisotopic Mass | 428.23112 Da |
|---|
| IUPAC Name | methyl (1S,14S,15R,17S,18S)-17-ethyl-14-(hydroxymethyl)-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.0^{2,10}.0^{4,9}.0^{13,18}]nonadeca-2(10),4,6,8-tetraene-1-carboxylate |
|---|
| Traditional Name | methyl (1S,14S,15R,17S,18S)-17-ethyl-14-(hydroxymethyl)-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.0^{2,10}.0^{4,9}.0^{13,18}]nonadeca-2(10),4,6,8-tetraene-1-carboxylate |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H][C@]1(CC)C[C@]2([H])C[C@@]3(C(=O)OC)C4=C(CCN([C@]2([H])CO)[C@@]13[H])C1=CC(OC)=C(OC)C=C1N4 |
|---|
| InChI Identifier | InChI=1S/C24H32N2O5/c1-5-13-8-14-11-24(23(28)31-4)21-15(6-7-26(22(13)24)18(14)12-27)16-9-19(29-2)20(30-3)10-17(16)25-21/h9-10,13-14,18,22,25,27H,5-8,11-12H2,1-4H3/t13-,14+,18+,22-,24+/m0/s1 |
|---|
| InChI Key | DXZAAWOIDLTDSW-AQVBGFEASA-N |
|---|
| Experimental Spectra |
|---|
|
| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
|---|
| HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | 2578468081@qq.com | Kunming Medical University | Wen Gao | 2025-07-11 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | 2578468081@qq.com | Kunming Medical University | Wen Gao | 2025-07-11 | View Spectrum | | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | 2578468081@qq.com | Kunming Medical University | Wen Gao | 2025-07-11 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | 2578468081@qq.com | Kunming Medical University | Wen Gao | 2025-07-11 | View Spectrum | | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | 2578468081@qq.com | Kunming Medical University | Wen Gao | 2025-07-11 | View Spectrum | | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | 2578468081@qq.com | Kunming Medical University | Wen Gao | 2025-07-11 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | 2578468081@qq.com | Kunming Medical University | Wen Gao | 2025-07-11 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | 2578468081@qq.com | Kunming Medical University | Wen Gao | 2025-07-11 | View Spectrum |
| | Predicted Spectra |
|---|
|
| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
|---|
| | 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 | |
|---|