Record Information |
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Version | 1.0 |
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Created at | 2024-05-01 21:36:14 UTC |
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Updated at | 2024-05-03 00:10:48 UTC |
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NP-MRD ID | NP0332892 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Asperustin G |
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Description | Not Available |
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Structure | [H][C@]12O[C@H](C[C@@]1(O)C1=C(O2)C=C2OC3=C(C(O)=CC=C3CCC(C)(C)O)C(=O)C2=C1O)OC InChI=1S/C23H24O9/c1-22(2,27)7-6-10-4-5-11(24)15-18(25)16-12(30-20(10)15)8-13-17(19(16)26)23(28)9-14(29-3)32-21(23)31-13/h4-5,8,14,21,24,26-28H,6-7,9H2,1-3H3/t14-,21+,23-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H24O9 |
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Average Mass | 444.4360 Da |
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Monoisotopic Mass | 444.14203 Da |
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IUPAC Name | (4R,6R,8S)-2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-6-methoxy-7,9,13-trioxapentacyclo[10.8.0.0^{3,10}.0^{4,8}.0^{14,19}]icosa-1,3(10),11,14(19),15,17-hexaen-20-one |
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Traditional Name | (4R,6R,8S)-2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-6-methoxy-7,9,13-trioxapentacyclo[10.8.0.0^{3,10}.0^{4,8}.0^{14,19}]icosa-1,3(10),11,14(19),15,17-hexaen-20-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12O[C@H](C[C@@]1(O)C1=C(O2)C=C2OC3=C(C(O)=CC=C3CCC(C)(C)O)C(=O)C2=C1O)OC |
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InChI Identifier | InChI=1S/C23H24O9/c1-22(2,27)7-6-10-4-5-11(24)15-18(25)16-12(30-20(10)15)8-13-17(19(16)26)23(28)9-14(29-3)32-21(23)31-13/h4-5,8,14,21,24,26-28H,6-7,9H2,1-3H3/t14-,21+,23-/m1/s1 |
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InChI Key | ZBBLSPVHCOHEAE-ZQQNNKCXSA-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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NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2024-05-01 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2024-05-01 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2024-05-01 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2024-05-01 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2024-05-01 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2024-05-01 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2024-05-01 | 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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