| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-06 06:18:32 UTC |
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| Updated at | 2024-09-03 04:15:20 UTC |
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| NP-MRD ID | NP0020991 |
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| Natural Product DOI | https://doi.org/10.57994/0230 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Chrysosporazine K |
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| Provided By | NPAtlas |
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| Description | Chrysosporazine K is found in Chrysosporium sp. Chrysosporazine K was first documented in 2020 (PMID: 31975579). Based on a literature review very few articles have been published on Chrysosporazine K. |
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| Structure | [H]O[C@]12C(=O)N3C([H])([H])[C@@]([H])(N(C(=O)C([H])([H])[H])C([H])([H])[C@]3([H])[C@@]1([H])C1=C(C(OC([H])([H])[H])=C3OC([H])([H])OC3=C1[H])[C@]2([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H] InChI=1S/C31H30N2O6/c1-18(34)32-16-23-27-22-14-24-28(39-17-38-24)29(37-2)25(22)26(20-11-7-4-8-12-20)31(27,36)30(35)33(23)15-21(32)13-19-9-5-3-6-10-19/h3-12,14,21,23,26-27,36H,13,15-17H2,1-2H3/t21-,23+,26-,27+,31-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C31H30N2O6 |
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| Average Mass | 526.5890 Da |
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| Monoisotopic Mass | 526.21039 Da |
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| IUPAC Name | (2R,3S,6S,10S,11S)-5-acetyl-6-benzyl-10-hydroxy-13-methoxy-11-phenyl-15,17-dioxa-5,8-diazapentacyclo[10.7.0.0^{2,10}.0^{3,8}.0^{14,18}]nonadeca-1(12),13,18-trien-9-one |
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| Traditional Name | (2R,3S,6S,10S,11S)-5-acetyl-6-benzyl-10-hydroxy-13-methoxy-11-phenyl-15,17-dioxa-5,8-diazapentacyclo[10.7.0.0^{2,10}.0^{3,8}.0^{14,18}]nonadeca-1(12),13,18-trien-9-one |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=C2[C@H](C3=CC=CC=C3)[C@]3(O)[C@@H]([C@H]4CN([C@@H](CC5=CC=CC=C5)CN4C3=O)C(C)=O)C2=CC2=C1OCO2 |
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| InChI Identifier | InChI=1S/C31H30N2O6/c1-18(34)32-16-23-27-22-14-24-28(39-17-38-24)29(37-2)25(22)26(20-11-7-4-8-12-20)31(27,36)30(35)33(23)15-21(32)13-19-9-5-3-6-10-19/h3-12,14,21,23,26-27,36H,13,15-17H2,1-2H3/t21-,23+,26-,27+,31-/m0/s1 |
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| InChI Key | HPVOHQVKBZIFOZ-MPPANQFJSA-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 | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | 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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| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | 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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