| Record Information |
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| Version | 2.0 |
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| Created at | 2022-12-22 05:07:19 UTC |
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| Updated at | 2026-02-07 15:08:46 UTC |
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| NP-MRD ID | NP0331264 |
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| Natural Product DOI | https://doi.org/10.57994/0162 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Cipacinerasin D |
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| Description | Cipacinerasin D was first documented in 2022 (PMID: 35500784). |
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| Structure | [H][C@@]12O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)[C@@H](O)[C@@](O)(C4=C)C(=O)[C@]1(C)[C@@H](CC(=O)OC)C(C)(C)[C@H](OC(C)=O)[C@@H]2OC(C)=O InChI=1S/C31H38O13/c1-14-30-12-20(35)43-22(17-9-10-40-13-17)29(30,7)26(37)31(14,38)25(36)28(6)18(11-19(34)39-8)27(4,5)23(42-16(3)33)21(24(28)44-30)41-15(2)32/h9-10,13,18,21-24,26,37-38H,1,11-12H2,2-8H3/t18-,21-,22-,23+,24-,26+,28+,29+,30-,31+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C31H38O13 |
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| Average Mass | 618.6320 Da |
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| Monoisotopic Mass | 618.23124 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 | [H][C@@]12O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)[C@@H](O)[C@@](O)(C4=C)C(=O)[C@]1(C)[C@@H](CC(=O)OC)C(C)(C)[C@H](OC(C)=O)[C@@H]2OC(C)=O |
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| InChI Identifier | InChI=1S/C31H38O13/c1-14-30-12-20(35)43-22(17-9-10-40-13-17)29(30,7)26(37)31(14,38)25(36)28(6)18(11-19(34)39-8)27(4,5)23(42-16(3)33)21(24(28)44-30)41-15(2)32/h9-10,13,18,21-24,26,37-38H,1,11-12H2,2-8H3/t18-,21-,22-,23+,24-,26+,28+,29+,30-,31+/m0/s1 |
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| InChI Key | RKICHOYIUFLXJF-UCEQULJESA-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) | [email protected] | Not Available | Not Available | 2022-12-22 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | [email protected] | Not Available | Not Available | 2022-12-22 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | [email protected] | Not Available | Not Available | 2022-12-22 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | [email protected] | Not Available | Not Available | 2022-12-22 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | [email protected] | Not Available | Not Available | 2022-12-22 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | [email protected] | Not Available | Not Available | 2022-12-22 | 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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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 1H NMR Spectrum (1D, 600.0, Chloroform-d, simulated) | [email protected] | Not Available | Not Available | 2026-02-07 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 150.0, Chloroform-d, simulated) | [email protected] | Not Available | Not Available | 2026-02-07 | View Spectrum |
| | 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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