Record Information |
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Version | 2.0 |
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Created at | 2022-12-21 21:18:29 UTC |
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Updated at | 2024-09-03 04:15:03 UTC |
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NP-MRD ID | NP0331247 |
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Natural Product DOI | https://doi.org/10.57994/0135 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 7‴-Epi-malahupinoside B |
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Description | Not Available |
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Structure | COC1=CC(=CC=C1O)[C@@H](CC(O)=O)C1=C(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C(=O)CCC2=CC=C(O)C=C2)=C1O InChI=1S/C31H34O14/c1-43-21-10-15(5-9-18(21)34)17(11-24(37)38)25-20(36)12-22(44-31-30(42)29(41)27(39)23(13-32)45-31)26(28(25)40)19(35)8-4-14-2-6-16(33)7-3-14/h2-3,5-7,9-10,12,17,23,27,29-34,36,39-42H,4,8,11,13H2,1H3,(H,37,38)/t17-,23-,27-,29+,30-,31-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C31H34O14 |
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Average Mass | 630.5990 Da |
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Monoisotopic Mass | 630.19486 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC(=CC=C1O)[C@@H](CC(O)=O)C1=C(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C(=O)CCC2=CC=C(O)C=C2)=C1O |
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InChI Identifier | InChI=1S/C31H34O14/c1-43-21-10-15(5-9-18(21)34)17(11-24(37)38)25-20(36)12-22(44-31-30(42)29(41)27(39)23(13-32)45-31)26(28(25)40)19(35)8-4-14-2-6-16(33)7-3-14/h2-3,5-7,9-10,12,17,23,27,29-34,36,39-42H,4,8,11,13H2,1H3,(H,37,38)/t17-,23-,27-,29+,30-,31-/m1/s1 |
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InChI Key | LLPZRUVFTUVSBS-BDEOXPRHSA-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, 500 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | 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 | 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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