Record Information |
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Version | 1.0 |
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Created at | 2024-05-11 16:54:40 UTC |
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Updated at | 2024-05-13 01:15:39 UTC |
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NP-MRD ID | NP0333151 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Raufiayunesin A |
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Description | Not Available |
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Structure | [H][C@]12CC3=C(NC4=CC=C(OC)C=C34)C(=O)C[C@]3([H])[C@@]1([H])CO[C@]([H])(N2C)[C@]31O[C@@H]1C InChI=1S/C21H24N2O4/c1-10-21(27-10)15-8-18(24)19-13(7-17-14(15)9-26-20(21)23(17)2)12-6-11(25-3)4-5-16(12)22-19/h4-6,10,14-15,17,20,22H,7-9H2,1-3H3/t10-,14-,15-,17+,20+,21-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H24N2O4 |
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Average Mass | 368.4330 Da |
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Monoisotopic Mass | 368.17361 Da |
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IUPAC Name | (1'S,2S,3R,14'R,16'S,19'R)-6'-methoxy-3,20'-dimethyl-17'-oxa-10',20'-diazaspiro[oxirane-2,15'-pentacyclo[14.3.1.0^{3,11}.0^{4,9}.0^{14,19}]icosane]-3'(11'),4',6',8'-tetraen-12'-one |
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Traditional Name | (1'S,2S,3R,14'R,16'S,19'R)-6'-methoxy-3,20'-dimethyl-17'-oxa-10',20'-diazaspiro[oxirane-2,15'-pentacyclo[14.3.1.0^{3,11}.0^{4,9}.0^{14,19}]icosane]-3'(11'),4',6',8'-tetraen-12'-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12CC3=C(NC4=CC=C(OC)C=C34)C(=O)C[C@]3([H])[C@@]1([H])CO[C@]([H])(N2C)[C@]31O[C@@H]1C |
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InChI Identifier | InChI=1S/C21H24N2O4/c1-10-21(27-10)15-8-18(24)19-13(7-17-14(15)9-26-20(21)23(17)2)12-6-11(25-3)4-5-16(12)22-19/h4-6,10,14-15,17,20,22H,7-9H2,1-3H3/t10-,14-,15-,17+,20+,21-/m1/s1 |
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InChI Key | BDSWMRIFIBSETF-HGEBQDRNSA-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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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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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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