Record Information |
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Version | 1.0 |
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Created at | 2022-04-29 04:03:47 UTC |
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Updated at | 2022-04-29 04:03:47 UTC |
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NP-MRD ID | NP0083004 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Arenolide |
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Description | (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. (+)-Arenolide is found in Dysidea sp. Based on a literature review very few articles have been published on (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one. |
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Structure | C[C@H](O)C[C@H](O)CCCC(=C)C[C@@H]1CC(=C)C[C@@H](O)C\C(C)=C/[C@@H](O)CCCC(=O)O1 InChI=1S/C25H42O6/c1-17(7-5-8-22(28)16-20(4)26)14-24-15-19(3)13-23(29)12-18(2)11-21(27)9-6-10-25(30)31-24/h11,20-24,26-29H,1,3,5-10,12-16H2,2,4H3/b18-11-/t20-,21-,22+,23-,24+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C25H42O6 |
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Average Mass | 438.6050 Da |
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Monoisotopic Mass | 438.29814 Da |
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IUPAC Name | (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one |
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Traditional Name | (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@H](O)C[C@H](O)CCCC(=C)C[C@@H]1CC(=C)C[C@@H](O)C\C(C)=C/[C@@H](O)CCCC(=O)O1 |
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InChI Identifier | InChI=1S/C25H42O6/c1-17(7-5-8-22(28)16-20(4)26)14-24-15-19(3)13-23(29)12-18(2)11-21(27)9-6-10-25(30)31-24/h11,20-24,26-29H,1,3,5-10,12-16H2,2,4H3/b18-11-/t20-,21-,22+,23-,24+/m0/s1 |
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InChI Key | ZDRUEHAANPCQTG-YOXVGSKDSA-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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Description | Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Macrolides and analogues |
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Sub Class | Not Available |
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Direct Parent | Macrolides and analogues |
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Alternative Parents | |
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Substituents | - Macrolide
- Fatty alcohol
- Fatty acyl
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- 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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