Record Information |
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Version | 1.0 |
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Created at | 2022-12-23 12:08:45 UTC |
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Updated at | 2024-04-19 09:39:57 UTC |
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NP-MRD ID | NP0331399 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Glenthmycin M |
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Description | Based on a literature review very few articles have been published on (1S,3R,6R,7E,11Z,13R,16S,17S,20S,21R,22S)-27-hydroxy-3,4,6,8,12,14,20,22-octamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]Heptacosa-4,7,11,14,24(27)-pentaen-17-yl acetate. |
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Structure | [H][C@]12C=C(C)[C@@]3([H])C(C)=CCC\C(C)=C/[C@]4(C)C=C(C)[C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)CC[C@@H]2OC(C)=O InChI=1S/C36H48O6/c1-19-11-10-12-20(2)29-22(4)15-26-27(41-25(7)37)14-13-21(3)30(26)35(29,9)31(38)28-32(39)36(42-33(28)40)18-24(6)23(5)17-34(36,8)16-19/h12,15-17,21,24,26-27,29-30,39H,10-11,13-14,18H2,1-9H3/b19-16-,20-12-/t21-,24+,26+,27-,29+,30+,34+,35+,36+/m0/s1 |
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Synonyms | Value | Source |
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(1S,3R,6R,7E,11Z,13R,16S,17S,20S,21R,22S)-27-Hydroxy-3,4,6,8,12,14,20,22-octamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0,.0,.0,]heptacosa-4,7,11,14,24(27)-pentaen-17-yl acetic acid | Generator |
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Chemical Formula | C36H48O6 |
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Average Mass | 576.7740 Da |
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Monoisotopic Mass | 576.34509 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@]12C=C(C)[C@@]3([H])C(C)=CCC\C(C)=C/[C@]4(C)C=C(C)[C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)CC[C@@H]2OC(C)=O |
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InChI Identifier | InChI=1S/C36H48O6/c1-19-11-10-12-20(2)29-22(4)15-26-27(41-25(7)37)14-13-21(3)30(26)35(29,9)31(38)28-32(39)36(42-33(28)40)18-24(6)23(5)17-34(36,8)16-19/h12,15-17,21,24,26-27,29-30,39H,10-11,13-14,18H2,1-9H3/b19-16-,20-12-/t21-,24+,26+,27-,29+,30+,34+,35+,36+/m0/s1 |
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InChI Key | UZJGZPDDMTVQTD-NCZGMQCYSA-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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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | 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 | Not Available |
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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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