Record Information |
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Version | 1.0 |
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Created at | 2024-03-06 20:00:50 UTC |
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Updated at | 2024-05-02 18:16:31 UTC |
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NP-MRD ID | NP0332597 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Acremoside E |
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Description | Not Available |
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Structure | CC(C)=C[C@@H]1C[C@](C)(O)[C@@H](C[C@@H](OC(=O)CC2=CC=CC=C2)C(\C)=C\CO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO)O1 InChI=1S/C29H44O10/c1-18(2)12-21-15-29(4,36)25(38-21)14-24(39-26(34)13-20-8-6-5-7-9-20)19(3)10-11-37-28(23(33)17-31)27(35)22(32)16-30/h5-10,12,21-25,27-28,30-33,35-36H,11,13-17H2,1-4H3/b19-10+/t21-,22-,23-,24-,25-,27-,28-,29+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C29H44O10 |
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Average Mass | 552.6610 Da |
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Monoisotopic Mass | 552.29345 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)-1,2,4,5,6-pentahydroxyhexan-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)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy}pent-3-en-2-yl 2-phenylacetate |
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CAS Registry Number | Not Available |
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SMILES | CC(C)=C[C@@H]1C[C@](C)(O)[C@@H](C[C@@H](OC(=O)CC2=CC=CC=C2)C(\C)=C\CO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO)O1 |
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InChI Identifier | InChI=1S/C29H44O10/c1-18(2)12-21-15-29(4,36)25(38-21)14-24(39-26(34)13-20-8-6-5-7-9-20)19(3)10-11-37-28(23(33)17-31)27(35)22(32)16-30/h5-10,12,21-25,27-28,30-33,35-36H,11,13-17H2,1-4H3/b19-10+/t21-,22-,23-,24-,25-,27-,28-,29+/m1/s1 |
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InChI Key | JEJAPXZMDYFHHE-KHYNPTSASA-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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