Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 10:11:05 UTC |
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Updated at | 2022-09-12 10:11:06 UTC |
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NP-MRD ID | NP0327525 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (9e)-4,7,8-trihydroxy-12-[(2e,4e)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one |
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Description | Pladienolide F belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. (9e)-4,7,8-trihydroxy-12-[(2e,4e)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one is found in Streptomyces platensis. Based on a literature review very few articles have been published on Pladienolide F. |
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Structure | CCC(O)C(C)C1OC1CC(C)(O)\C=C\C=C(/C)C1OC(=O)CC(O)CCC(C)(O)C(O)\C=C\C1C InChI=1S/C28H46O8/c1-7-21(30)19(4)26-22(35-26)16-27(5,33)13-8-9-17(2)25-18(3)10-11-23(31)28(6,34)14-12-20(29)15-24(32)36-25/h8-11,13,18-23,25-26,29-31,33-34H,7,12,14-16H2,1-6H3/b11-10+,13-8+,17-9+ |
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Synonyms | Not Available |
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Chemical Formula | C28H46O8 |
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Average Mass | 510.6680 Da |
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Monoisotopic Mass | 510.31927 Da |
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IUPAC Name | (9E)-4,7,8-trihydroxy-12-[(2E,4E)-6-hydroxy-6-{[3-(3-hydroxypentan-2-yl)oxiran-2-yl]methyl}hepta-2,4-dien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one |
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Traditional Name | (9E)-4,7,8-trihydroxy-12-[(2E,4E)-6-hydroxy-6-{[3-(3-hydroxypentan-2-yl)oxiran-2-yl]methyl}hepta-2,4-dien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one |
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CAS Registry Number | Not Available |
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SMILES | CCC(O)C(C)C1OC1CC(C)(O)\C=C\C=C(/C)C1OC(=O)CC(O)CCC(C)(O)C(O)\C=C\C1C |
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InChI Identifier | InChI=1S/C28H46O8/c1-7-21(30)19(4)26-22(35-26)16-27(5,33)13-8-9-17(2)25-18(3)10-11-23(31)28(6,34)14-12-20(29)15-24(32)36-25/h8-11,13,18-23,25-26,29-31,33-34H,7,12,14-16H2,1-6H3/b11-10+,13-8+,17-9+ |
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InChI Key | UVGNDKLNNFHGQG-BVPMUASMSA-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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Description | Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Terpene lactones |
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Direct Parent | Diterpene lactones |
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Alternative Parents | |
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Substituents | - Diterpene lactone
- Diterpenoid
- Macrolide
- Tertiary alcohol
- 1,2-diol
- Carboxylic acid ester
- Lactone
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Ether
- Oxirane
- Dialkyl ether
- Carboxylic acid derivative
- Polyol
- Oxacycle
- Organoheterocyclic compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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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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