Record Information |
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Version | 2.0 |
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Created at | 2021-01-05 22:34:37 UTC |
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Updated at | 2021-07-15 17:13:36 UTC |
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NP-MRD ID | NP0013113 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Indimicin C |
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Provided By | NPAtlas |
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Description | Indimicin C is found in Streptomyces. Based on a literature review very few articles have been published on (2S,10S)-7,19-dichloro-3,10,14-trimethyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]Tricosa-1(16),4(9),5,7,11,14,17(22),18,20-nonaene. |
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Structure | [H]N1C([H])=C2C(=C1C([H])([H])[H])C1=C(N([H])C3=C([H])C([H])=C(Cl)C([H])=C13)[C@@]1([H])N(C3=C([H])C([H])=C(Cl)C([H])=C3[C@@]21C([H])([H])[H])C([H])([H])[H] InChI=1S/C23H19Cl2N3/c1-11-19-16(10-26-11)23(2)15-9-13(25)5-7-18(15)28(3)22(23)21-20(19)14-8-12(24)4-6-17(14)27-21/h4-10,22,26-27H,1-3H3/t22-,23+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H19Cl2N3 |
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Average Mass | 408.3300 Da |
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Monoisotopic Mass | 407.09560 Da |
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IUPAC Name | (2S,10S)-7,19-dichloro-3,10,14-trimethyl-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),4,6,8,11,14,17,19,21-nonaene |
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Traditional Name | (2S,10S)-7,19-dichloro-3,10,14-trimethyl-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),4,6,8,11,14,17,19,21-nonaene |
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CAS Registry Number | Not Available |
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SMILES | CN1[C@@H]2C3=C(C4=C(N3)C=CC(Cl)=C4)C3=C(C)NC=C3[C@]2(C)C2=C1C=CC(Cl)=C2 |
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InChI Identifier | InChI=1S/C23H19Cl2N3/c1-11-19-16(10-26-11)23(2)15-9-13(25)5-7-18(15)28(3)22(23)21-20(19)14-8-12(24)4-6-17(14)27-21/h4-10,22,26-27H,1-3H3/t22-,23+/m1/s1 |
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InChI Key | ZVEJGLKGBBJKBW-PKTZIBPZSA-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 | |
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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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