Record Information |
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Version | 1.0 |
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Created at | 2024-03-06 20:01:22 UTC |
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Updated at | 2024-05-02 18:16:31 UTC |
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NP-MRD ID | NP0332599 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Acremoside F |
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Description | Not Available |
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Structure | COC[C@@H](O)[C@@H](OC\C=C(/C)[C@@H](C[C@H]1O[C@@H](C[C@]1(C)O)C=C(C)C)OC(=O)CC1=CC=CC=C1)[C@H](O)[C@H](O)CO InChI=1S/C30H46O10/c1-19(2)13-22-16-30(4,36)26(39-22)15-25(40-27(34)14-21-9-7-6-8-10-21)20(3)11-12-38-29(24(33)18-37-5)28(35)23(32)17-31/h6-11,13,22-26,28-29,31-33,35-36H,12,14-18H2,1-5H3/b20-11+/t22-,23-,24-,25-,26-,28-,29-,30+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C30H46O10 |
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Average Mass | 566.6880 Da |
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Monoisotopic Mass | 566.30910 Da |
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IUPAC Name | (2R,3E)-1-[(2R,3S,5S)-3-hydroxy-3-methyl-5-(2-methylprop-1-en-1-yl)oxolan-2-yl]-3-methyl-5-{[(2R,3R,4R,5R)-2,4,5,6-tetrahydroxy-1-methoxyhexan-3-yl]oxy}pent-3-en-2-yl 2-phenylacetate |
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Traditional Name | (2R,3E)-1-[(2R,3S,5S)-3-hydroxy-3-methyl-5-(2-methylprop-1-en-1-yl)oxolan-2-yl]-3-methyl-5-{[(2R,3R,4R,5R)-2,4,5,6-tetrahydroxy-1-methoxyhexan-3-yl]oxy}pent-3-en-2-yl 2-phenylacetate |
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CAS Registry Number | Not Available |
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SMILES | COC[C@@H](O)[C@@H](OC\C=C(/C)[C@@H](C[C@H]1O[C@@H](C[C@]1(C)O)C=C(C)C)OC(=O)CC1=CC=CC=C1)[C@H](O)[C@H](O)CO |
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InChI Identifier | InChI=1S/C30H46O10/c1-19(2)13-22-16-30(4,36)26(39-22)15-25(40-27(34)14-21-9-7-6-8-10-21)20(3)11-12-38-29(24(33)18-37-5)28(35)23(32)17-31/h6-11,13,22-26,28-29,31-33,35-36H,12,14-18H2,1-5H3/b20-11+/t22-,23-,24-,25-,26-,28-,29-,30+/m1/s1 |
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InChI Key | KWCNRDOBKZXZPA-JKCRQQANSA-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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1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | ganml@imb.pumc.edu.cn | Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College | Maoluo Gan | 2024-05-02 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | ganml@imb.pumc.edu.cn | Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College | Maoluo Gan | 2024-05-02 | 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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