| Record Information |
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| Version | 2.0 |
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| Created at | 2025-08-31 02:06:37 UTC |
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| Updated at | 2025-12-05 03:36:55 UTC |
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| NP-MRD ID | NP0351501 |
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| Natural Product DOI | https://doi.org/10.57994/4548 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Oreonudine G |
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| Description | Not Available |
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| Structure | COC1=C(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C=C2[C@@H]3O[C@@H](O)C4=C(C=CC5=C4OCO5)[C@H]3N(C)CCC2=C1 InChI=1S/C25H29NO10/c1-26-6-5-11-7-16(31-2)17(35-25-21(29)20(28)14(27)9-32-25)8-13(11)22-19(26)12-3-4-15-23(34-10-33-15)18(12)24(30)36-22/h3-4,7-8,14,19-22,24-25,27-30H,5-6,9-10H2,1-2H3/t14-,19-,20+,21-,22+,24-,25+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C25H29NO10 |
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| Average Mass | 503.5040 Da |
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| Monoisotopic Mass | 503.17915 Da |
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| IUPAC Name | (2S,3R,4S,5R)-2-{[(1R,11R,13S)-11-hydroxy-17-methoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.0^{2,10}.0^{5,9}.0^{14,19}]docosa-2(10),3,5(9),14,16,18-hexaen-16-yl]oxy}oxane-3,4,5-triol |
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| Traditional Name | (2S,3R,4S,5R)-2-{[(1R,11R,13S)-11-hydroxy-17-methoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.0^{2,10}.0^{5,9}.0^{14,19}]docosa-2(10),3,5(9),14,16,18-hexaen-16-yl]oxy}oxane-3,4,5-triol |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=C(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C=C2[C@@H]3O[C@@H](O)C4=C(C=CC5=C4OCO5)[C@H]3N(C)CCC2=C1 |
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| InChI Identifier | InChI=1S/C25H29NO10/c1-26-6-5-11-7-16(31-2)17(35-25-21(29)20(28)14(27)9-32-25)8-13(11)22-19(26)12-3-4-15-23(34-10-33-15)18(12)24(30)36-22/h3-4,7-8,14,19-22,24-25,27-30H,5-6,9-10H2,1-2H3/t14-,19-,20+,21-,22+,24-,25+/m1/s1 |
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| InChI Key | WGPGTDPBCMCBJL-SFQKLDKOSA-N |
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| Experimental Spectra |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-08-31 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-08-31 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-08-31 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-08-31 | View Spectrum | | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-08-31 | View Spectrum | | 1D_DEPT NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-08-31 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-08-31 | View Spectrum |
| | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Oreomecon nudicaulis | | |
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| Chemical Taxonomy |
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| Classification | Not classified |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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