| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-28 06:12:43 UTC |
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| Updated at | 2022-04-28 06:12:43 UTC |
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| NP-MRD ID | NP0061414 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | UCF 76B |
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| Description | (1R,10S,11S,15R,17R)-4-hydroxy-17-propyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]Octadeca-3(8),4,6-triene-2,9,13-trione belongs to the class of organic compounds known as naphthopyranones. Naphthopyranones are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system. UCF 76B is found in Streptomyces sp. Based on a literature review very few articles have been published on (1R,10S,11S,15R,17R)-4-hydroxy-17-propyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]Octadeca-3(8),4,6-triene-2,9,13-trione. |
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| Structure | CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@]23O[C@]12C(=O)C1=C(O)C=CC=C1C3=O InChI=1S/C18H16O7/c1-2-4-11-17-15(22)13-8(5-3-6-9(13)19)14(21)18(17,25-17)16-10(23-11)7-12(20)24-16/h3,5-6,10-11,16,19H,2,4,7H2,1H3/t10-,11-,16+,17+,18+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C18H16O7 |
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| Average Mass | 344.3190 Da |
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| Monoisotopic Mass | 344.08960 Da |
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| IUPAC Name | (11S,15R,17R)-4-hydroxy-17-propyl-12,16,18-trioxapentacyclo[8.7.1.0^{1,10}.0^{3,8}.0^{11,15}]octadeca-3(8),4,6-triene-2,9,13-trione |
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| Traditional Name | (11S,15R,17R)-4-hydroxy-17-propyl-12,16,18-trioxapentacyclo[8.7.1.0^{1,10}.0^{3,8}.0^{11,15}]octadeca-3(8),4,6-triene-2,9,13-trione |
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| CAS Registry Number | Not Available |
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| SMILES | CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@]23O[C@]12C(=O)C1=C(O)C=CC=C1C3=O |
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| InChI Identifier | InChI=1S/C18H16O7/c1-2-4-11-17-15(22)13-8(5-3-6-9(13)19)14(21)18(17,25-17)16-10(23-11)7-12(20)24-16/h3,5-6,10-11,16,19H,2,4,7H2,1H3/t10-,11-,16+,17+,18+/m1/s1 |
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| InChI Key | ZWOJCPOIYCQLQX-BZNPMOSPSA-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 naphthopyranones. Naphthopyranones are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Naphthopyrans |
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| Sub Class | Naphthopyranones |
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| Direct Parent | Naphthopyranones |
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| Alternative Parents | |
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| Substituents | - Naphthopyranone
- Naphthoquinone
- Naphthalene
- Tetralin
- Furopyran
- Quinone
- Aryl ketone
- Aryl alkyl ketone
- 1,4-dioxepane
- Pyranone
- Dioxepane
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Pyran
- Oxane
- Monosaccharide
- Gamma butyrolactone
- Vinylogous acid
- Tetrahydrofuran
- Furan
- Carboxylic acid ester
- Lactone
- Ketone
- Oxacycle
- Carboxylic acid derivative
- Dialkyl ether
- Oxirane
- Ether
- Monocarboxylic acid or derivatives
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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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