Record Information |
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Version | 1.0 |
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Created at | 2022-09-04 17:33:18 UTC |
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Updated at | 2022-09-04 17:33:18 UTC |
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NP-MRD ID | NP0198996 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1s,2r,4s,8s,11s,13s,22r,23e,25z,27s)-22-ethyl-2,4,7-trihydroxy-27-methoxy-11,13-dimethyl-8-propyl-9,28-dioxa-6-azabicyclo[24.2.2]triaconta-6,23,25-triene-10,18-dione |
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Description | (1s,2r,4s,8s,11s,13s,22r,23e,25z,27s)-22-ethyl-2,4,7-trihydroxy-27-methoxy-11,13-dimethyl-8-propyl-9,28-dioxa-6-azabicyclo[24.2.2]triaconta-6,23,25-triene-10,18-dione is found in Myxococcus virescens. |
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Structure | CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCC(=O)CCC[C@@H](CC)\C=C/C=C2/CC[C@H](O[C@@H]2OC)[C@H](O)C[C@H](O)CN=C1O InChI=1S/C35H59NO8/c1-6-12-32-33(40)36-23-29(38)22-30(39)31-20-19-27(35(42-5)44-31)16-10-14-26(7-2)15-11-18-28(37)17-9-8-13-24(3)21-25(4)34(41)43-32/h10,14,16,24-26,29-32,35,38-39H,6-9,11-13,15,17-23H2,1-5H3,(H,36,40)/b14-10-,27-16-/t24-,25-,26-,29-,30+,31-,32-,35-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C35H59NO8 |
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Average Mass | 621.8560 Da |
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Monoisotopic Mass | 621.42407 Da |
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IUPAC Name | (1S,2R,4S,8S,11S,13S,22R,23E,25Z,27S)-22-ethyl-2,4,7-trihydroxy-27-methoxy-11,13-dimethyl-8-propyl-9,28-dioxa-6-azabicyclo[24.2.2]triaconta-6,23,25-triene-10,18-dione |
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Traditional Name | (1S,2R,4S,8S,11S,13S,22R,23E,25Z,27S)-22-ethyl-2,4,7-trihydroxy-27-methoxy-11,13-dimethyl-8-propyl-9,28-dioxa-6-azabicyclo[24.2.2]triaconta-6,23,25-triene-10,18-dione |
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CAS Registry Number | Not Available |
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SMILES | CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCC(=O)CCC[C@@H](CC)\C=C/C=C2/CC[C@H](O[C@@H]2OC)[C@H](O)C[C@H](O)CN=C1O |
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InChI Identifier | InChI=1S/C35H59NO8/c1-6-12-32-33(40)36-23-29(38)22-30(39)31-20-19-27(35(42-5)44-31)16-10-14-26(7-2)15-11-18-28(37)17-9-8-13-24(3)21-25(4)34(41)43-32/h10,14,16,24-26,29-32,35,38-39H,6-9,11-13,15,17-23H2,1-5H3,(H,36,40)/b14-10-,27-16-/t24-,25-,26-,29-,30+,31-,32-,35-/m0/s1 |
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InChI Key | XBCIYABRDRCSKY-SRHKBMRBSA-N |
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Experimental Spectra |
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| Not Available | 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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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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