| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-11 02:57:40 UTC |
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| Updated at | 2022-09-11 02:57:40 UTC |
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| NP-MRD ID | NP0308851 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (6r,9r,10s)-9-[(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)(methoxy)methyl]-2,3,8-trimethoxy-6,10-diphenylspiro[4.5]deca-2,7-diene-1,4-dione |
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| Description | Bilinderone belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. (6r,9r,10s)-9-[(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)(methoxy)methyl]-2,3,8-trimethoxy-6,10-diphenylspiro[4.5]deca-2,7-diene-1,4-dione is found in Lindera aggregata. Based on a literature review very few articles have been published on Bilinderone. |
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| Structure | COC([C@@H]1[C@@H](C2=CC=CC=C2)C2([C@H](C=C1OC)C1=CC=CC=C1)C(=O)C(OC)=C(OC)C2=O)=C1C(=O)C(OC)=C(OC)C1=O InChI=1S/C34H32O10/c1-39-21-17-20(18-13-9-7-10-14-18)34(32(37)30(43-5)31(44-6)33(34)38)24(19-15-11-8-12-16-19)22(21)27(40-2)23-25(35)28(41-3)29(42-4)26(23)36/h7-17,20,22,24H,1-6H3/t20-,22+,24-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C34H32O10 |
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| Average Mass | 600.6200 Da |
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| Monoisotopic Mass | 600.19955 Da |
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| IUPAC Name | (6R,9R,10S)-9-[(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)(methoxy)methyl]-2,3,8-trimethoxy-6,10-diphenylspiro[4.5]deca-2,7-diene-1,4-dione |
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| Traditional Name | (6R,9R,10S)-9-[(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)(methoxy)methyl]-2,3,8-trimethoxy-6,10-diphenylspiro[4.5]deca-2,7-diene-1,4-dione |
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| CAS Registry Number | Not Available |
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| SMILES | COC([C@@H]1[C@@H](C2=CC=CC=C2)C2([C@H](C=C1OC)C1=CC=CC=C1)C(=O)C(OC)=C(OC)C2=O)=C1C(=O)C(OC)=C(OC)C1=O |
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| InChI Identifier | InChI=1S/C34H32O10/c1-39-21-17-20(18-13-9-7-10-14-18)34(32(37)30(43-5)31(44-6)33(34)38)24(19-15-11-8-12-16-19)22(21)27(40-2)23-25(35)28(41-3)29(42-4)26(23)36/h7-17,20,22,24H,1-6H3/t20-,22+,24-/m1/s1 |
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| InChI Key | LCIXMPUYUMOMIA-JCTONOIOSA-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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Not Available |
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| Direct Parent | Benzene and substituted derivatives |
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| Alternative Parents | |
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| Substituents | - Monocyclic benzene moiety
- Vinylogous ester
- Cyclic ketone
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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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