Record Information |
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Version | 1.0 |
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Created at | 2024-02-15 20:06:09 UTC |
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Updated at | 2024-04-19 10:10:09 UTC |
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NP-MRD ID | NP0332513 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Rubescin P |
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Description | Not Available |
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Structure | [H][C@]12[C@H]3OC[C@]1(C)C=CC(=O)[C@]2(C)[C@@]1([H])[C@@H](C[C@@]2(C)[C@@H](CC=C2[C@]1(C)[C@@H]3O)C1=COC=C1)OC(C)=O InChI=1S/C28H34O6/c1-15(29)34-18-12-26(3)17(16-9-11-32-13-16)6-7-19(26)27(4)22(18)28(5)20(30)8-10-25(2)14-33-21(23(25)28)24(27)31/h7-11,13,17-18,21-24,31H,6,12,14H2,1-5H3/t17-,18+,21+,22-,23-,24+,25-,26-,27-,28+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H34O6 |
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Average Mass | 466.5740 Da |
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Monoisotopic Mass | 466.23554 Da |
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IUPAC Name | (1R,2S,3R,5S,6R,10R,11S,12R,15R,19S)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-18-oxo-13-oxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-8,16-dien-3-yl acetate |
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Traditional Name | (1R,2S,3R,5S,6R,10R,11S,12R,15R,19S)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-18-oxo-13-oxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-8,16-dien-3-yl acetate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12[C@H]3OC[C@]1(C)C=CC(=O)[C@]2(C)[C@@]1([H])[C@@H](C[C@@]2(C)[C@@H](CC=C2[C@]1(C)[C@@H]3O)C1=COC=C1)OC(C)=O |
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InChI Identifier | InChI=1S/C28H34O6/c1-15(29)34-18-12-26(3)17(16-9-11-32-13-16)6-7-19(26)27(4)22(18)28(5)20(30)8-10-25(2)14-33-21(23(25)28)24(27)31/h7-11,13,17-18,21-24,31H,6,12,14H2,1-5H3/t17-,18+,21+,22-,23-,24+,25-,26-,27-,28+/m0/s1 |
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InChI Key | ZRURQRNEWRZKGP-XPQFNIGESA-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, 600 MHz, CDCL3, experimental) | kngoto@p.kanazawa-u.ac.jp | Not Available | Not Available | 2024-02-15 | View Spectrum | NOESY NMR | [Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | kngoto@p.kanazawa-u.ac.jp | Not Available | Not Available | 2024-02-15 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | kngoto@p.kanazawa-u.ac.jp | Not Available | Not Available | 2024-02-15 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCL3, experimental) | kngoto@p.kanazawa-u.ac.jp | Not Available | Not Available | 2024-02-15 | View Spectrum | HMQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | kngoto@p.kanazawa-u.ac.jp | Not Available | Not Available | 2024-02-15 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | kngoto@p.kanazawa-u.ac.jp | Not Available | Not Available | 2024-02-15 | 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 | Not Available |
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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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