Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:55:52 UTC |
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Updated at | 2021-06-30 00:19:18 UTC |
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NP-MRD ID | NP0043555 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | fimbricalyx B |
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Provided By | JEOL Database![JEOL Logo](/attributions/jeol_logo.png) |
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Description | 2-Hydroxy-6,10-dimethoxy-1,7-dimethyl-3,9-dihydrophenanthrene-3,9-dione belongs to the class of organic compounds known as hydrophenanthrenes. These are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation. fimbricalyx B is found in Strophioblachia fimbricalyx. It was first documented in 2013 (Seephonkai, P., et al.). Based on a literature review very few articles have been published on 2-hydroxy-6,10-dimethoxy-1,7-dimethyl-3,9-dihydrophenanthrene-3,9-dione. |
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Structure | [H]OC1=C(C2=C(OC([H])([H])[H])C(=O)C3=C([H])C(=C(OC([H])([H])[H])C([H])=C3C2=C([H])C1=O)C([H])([H])[H])C([H])([H])[H] InChI=1S/C18H16O5/c1-8-5-12-10(7-14(8)22-3)11-6-13(19)16(20)9(2)15(11)18(23-4)17(12)21/h5-7,20H,1-4H3 |
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Synonyms | Not Available |
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Chemical Formula | C18H16O5 |
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Average Mass | 312.3210 Da |
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Monoisotopic Mass | 312.09977 Da |
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IUPAC Name | 2-hydroxy-6,10-dimethoxy-1,7-dimethyl-3,9-dihydrophenanthrene-3,9-dione |
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Traditional Name | 2-hydroxy-6,10-dimethoxy-1,7-dimethylphenanthrene-3,9-dione |
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CAS Registry Number | Not Available |
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SMILES | [H]OC1=C(C2=C(OC([H])([H])[H])C(=O)C3=C([H])C(=C(OC([H])([H])[H])C([H])=C3C2=C([H])C1=O)C([H])([H])[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C18H16O5/c1-8-5-12-10(7-14(8)22-3)11-6-13(19)16(20)9(2)15(11)18(23-4)17(12)21/h5-7,20H,1-4H3 |
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InChI Key | IYGRWBQEGQIQRP-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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 hydrophenanthrenes. These are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenanthrenes and derivatives |
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Sub Class | Hydrophenanthrenes |
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Direct Parent | Hydrophenanthrenes |
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Alternative Parents | |
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Substituents | - Hydrophenanthrene
- Naphthalene
- Anisole
- Phenol ether
- Aryl ketone
- Alkyl aryl ether
- Ketone
- Cyclic ketone
- Ether
- Enol
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic 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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