Record Information |
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Version | 2.0 |
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Created at | 2022-04-28 06:15:50 UTC |
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Updated at | 2022-04-28 06:15:51 UTC |
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NP-MRD ID | NP0061483 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Chrymutasin B |
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Description | Chrymutasin B is found in Streptomyces chartreusis D329-185. |
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Structure | C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](C)O[C@H]2OC2=C3C4=C5C(=C(N)C(=O)C6=CC=C(C)C(C(=O)O4)=C56)C(=O)C3=CC=C2)[C@@H](O)[C@@H](O)[C@H]1O InChI=1S/C32H31NO13/c1-9-7-8-13-17-15(9)30(41)45-28-16-12(23(36)19(18(17)28)20(33)24(13)37)5-4-6-14(16)44-32-29(26(39)22(35)11(3)43-32)46-31-27(40)25(38)21(34)10(2)42-31/h4-8,10-11,21-22,25-27,29,31-32,34-35,38-40H,33H2,1-3H3/t10-,11+,21+,22+,25+,26+,27+,29-,31-,32+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C32H31NO13 |
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Average Mass | 637.5940 Da |
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Monoisotopic Mass | 637.17954 Da |
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IUPAC Name | 10-amino-3-{[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-15-methyl-18-oxapentacyclo[10.6.2.0^{2,7}.0^{9,19}.0^{16,20}]icosa-1(19),2,4,6,9,12,14,16(20)-octaene-8,11,17-trione |
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Traditional Name | 10-amino-3-{[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-15-methyl-18-oxapentacyclo[10.6.2.0^{2,7}.0^{9,19}.0^{16,20}]icosa-1(19),2,4,6,9,12,14,16(20)-octaene-8,11,17-trione |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](C)O[C@H]2OC2=C3C4=C5C(=C(N)C(=O)C6=CC=C(C)C(C(=O)O4)=C56)C(=O)C3=CC=C2)[C@@H](O)[C@@H](O)[C@H]1O |
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InChI Identifier | InChI=1S/C32H31NO13/c1-9-7-8-13-17-15(9)30(41)45-28-16-12(23(36)19(18(17)28)20(33)24(13)37)5-4-6-14(16)44-32-29(26(39)22(35)11(3)43-32)46-31-27(40)25(38)21(34)10(2)42-31/h4-8,10-11,21-22,25-27,29,31-32,34-35,38-40H,33H2,1-3H3/t10-,11+,21+,22+,25+,26+,27+,29-,31-,32+/m1/s1 |
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InChI Key | NCMKXUVBVTVSTE-MUERSHKESA-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, 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 | Species Name | Source | Reference |
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Streptomyces chartreusis D329-185 | Bacteria | |
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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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