Record Information |
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Version | 2.0 |
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Created at | 2024-05-11 07:24:11 UTC |
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Updated at | 2024-09-03 04:21:17 UTC |
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NP-MRD ID | NP0333136 |
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Natural Product DOI | https://doi.org/10.57994/2436 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Sacrone A |
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Description | Sacrone A was first documented in 2023 (PMID: 36801349). Based on a literature review very few articles have been published on Sacrone A. |
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Structure | CC1=C2CC[C@]3(C)O[C@H]3CCC(=C)CC[C@@H](CC1=O)C2(C)C InChI=1S/C20H30O2/c1-13-6-8-15-12-17(21)14(2)16(19(15,3)4)10-11-20(5)18(22-20)9-7-13/h15,18H,1,6-12H2,2-5H3/t15-,18-,20-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H30O2 |
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Average Mass | 302.4580 Da |
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Monoisotopic Mass | 302.22458 Da |
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IUPAC Name | (4S,6S,12S)-4,15,16,16-tetramethyl-9-methylidene-5-oxatricyclo[10.3.1.0^{4,6}]hexadec-1(15)-en-14-one |
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Traditional Name | (4S,6S,12S)-4,15,16,16-tetramethyl-9-methylidene-5-oxatricyclo[10.3.1.0^{4,6}]hexadec-1(15)-en-14-one |
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CAS Registry Number | Not Available |
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SMILES | CC1=C2CC[C@]3(C)O[C@H]3CCC(=C)CC[C@@H](CC1=O)C2(C)C |
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InChI Identifier | InChI=1S/C20H30O2/c1-13-6-8-15-12-17(21)14(2)16(19(15,3)4)10-11-20(5)18(22-20)9-7-13/h15,18H,1,6-12H2,2-5H3/t15-,18-,20-/m0/s1 |
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InChI Key | DIAVODHIBNFHLC-QSFXBCCZSA-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, CDCl3, experimental) | zbyqcy@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | zbyqcy@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zbyqcy@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zbyqcy@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zbyqcy@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zbyqcy@163.com | Not Available | Not Available | 2024-05-11 | 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 | Species Name | Source | Reference |
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sacra | | |
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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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