Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 03:01:12 UTC |
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Updated at | 2021-07-15 16:53:16 UTC |
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NP-MRD ID | NP0005893 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Sporolide B |
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Provided By | NPAtlas |
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Description | Sporolide B is found in Salinispora tropica. It was first documented in 2005 (PMID: 15957933). Based on a literature review very few articles have been published on (1S,3S,7R,8R,12R,17R,18S,19R,21R,26R)-15-chloro-3,12,17,19,21-pentahydroxy-8-methoxy-5-methyl-2,10,24,25-tetraoxaheptacyclo[11.8.2.2³,⁷.1⁴,¹⁸.0¹,¹⁸.0¹⁶,²².0⁷,²⁶]Hexacosa-4,13(23),14,16(22)-tetraene-6,9-dione. |
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Structure | [H]O[C@]1([H])C2=C(Cl)C([H])=C3C([H])=C2[C@@]24O[C@]5(O[H])C(O[C@@]12[C@]([H])(O[H])C([H])([H])[C@@]4([H])O[H])=C(C(=O)[C@]1(O[C@@]51[H])[C@@]([H])(OC([H])([H])[H])C(=O)OC([H])([H])[C@]3([H])O[H])C([H])([H])[H] InChI=1S/C24H23ClO12/c1-7-15(29)21-18(33-2)19(31)34-6-11(26)8-3-9-14(10(25)4-8)16(30)23-13(28)5-12(27)22(9,23)37-24(32,17(7)35-23)20(21)36-21/h3-4,11-13,16,18,20,26-28,30,32H,5-6H2,1-2H3/t11-,12+,13+,16+,18-,20+,21-,22-,23-,24+/m0/s1 |
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Synonyms | Value | Source |
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Sporolide a | MeSH |
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Chemical Formula | C24H23ClO12 |
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Average Mass | 538.8900 Da |
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Monoisotopic Mass | 538.08780 Da |
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IUPAC Name | (1R,3S,7R,8R,12R,17R,18R,19R,21R,26R)-15-chloro-3,12,17,19,21-pentahydroxy-8-methoxy-5-methyl-2,10,24,25-tetraoxaheptacyclo[11.8.2.2^{3,7}.1^{4,18}.0^{1,18}.0^{16,22}.0^{7,26}]hexacosa-4,13,15,22-tetraene-6,9-dione |
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Traditional Name | (1R,3S,7R,8R,12R,17R,18R,19R,21R,26R)-15-chloro-3,12,17,19,21-pentahydroxy-8-methoxy-5-methyl-2,10,24,25-tetraoxaheptacyclo[11.8.2.2^{3,7}.1^{4,18}.0^{1,18}.0^{16,22}.0^{7,26}]hexacosa-4,13,15,22-tetraene-6,9-dione |
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CAS Registry Number | Not Available |
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SMILES | CO[C@H]1C(=O)OC[C@H](O)C2=CC(Cl)=C3[C@@H](O)[C@@]45OC6=C(C)C(=O)[C@]11O[C@H]1[C@]6(O)O[C@@]4([C@H](O)C[C@H]5O)C3=C2 |
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InChI Identifier | InChI=1S/C24H23ClO12/c1-7-15(29)21-18(33-2)19(31)34-6-11(26)8-3-9-14(10(25)4-8)16(30)23-13(28)5-12(27)22(9,23)37-24(32,17(7)35-23)20(21)36-21/h3-4,11-13,16,18,20,26-28,30,32H,5-6H2,1-2H3/t11-,12+,13+,16+,18-,20+,21-,22-,23-,24+/m0/s1 |
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InChI Key | CYXHIOKLZVVCBQ-LCCPHMJJSA-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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