Record Information |
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Version | 1.0 |
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Created at | 2023-09-27 04:00:30 UTC |
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Updated at | 2024-04-19 09:54:38 UTC |
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NP-MRD ID | NP0331883 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | sartorypyrone G |
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Description | Not Available |
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Structure | [H][C@@]1(CC[C@]2(C)[C@@]([H])(CC\C(C)=C\CC3=C(O)C=C(C)OC3=O)C(=C)CC[C@@]2([H])C1(C)C)OC(C)=O InChI=1S/C28H40O5/c1-17(8-11-21-23(30)16-19(3)32-26(21)31)9-12-22-18(2)10-13-24-27(5,6)25(33-20(4)29)14-15-28(22,24)7/h8,16,22,24-25,30H,2,9-15H2,1,3-7H3/b17-8+/t22-,24-,25-,28+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H40O5 |
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Average Mass | 456.6230 Da |
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Monoisotopic Mass | 456.28757 Da |
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IUPAC Name | (2S,4aR,5S,8aR)-5-[(3E)-5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-methylpent-3-en-1-yl]-1,1,4a-trimethyl-6-methylidene-decahydronaphthalen-2-yl acetate |
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Traditional Name | (2S,4aR,5S,8aR)-5-[(3E)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-methylpent-3-en-1-yl]-1,1,4a-trimethyl-6-methylidene-hexahydro-2H-naphthalen-2-yl acetate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]1(CC[C@]2(C)[C@@]([H])(CC\C(C)=C\CC3=C(O)C=C(C)OC3=O)C(=C)CC[C@@]2([H])C1(C)C)OC(C)=O |
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InChI Identifier | InChI=1S/C28H40O5/c1-17(8-11-21-23(30)16-19(3)32-26(21)31)9-12-22-18(2)10-13-24-27(5,6)25(33-20(4)29)14-15-28(22,24)7/h8,16,22,24-25,30H,2,9-15H2,1,3-7H3/b17-8+/t22-,24-,25-,28+/m0/s1 |
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InChI Key | ATKBLSRWUFYKSB-MPEQJHNYSA-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, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | 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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