| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-11 10:20:09 UTC |
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| Updated at | 2022-09-11 10:20:09 UTC |
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| NP-MRD ID | NP0313053 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (2s,2's)-2'-(3,4-dihydroxyphenyl)-6'-[(1e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methyl-2'h-spiro[furan-2,3'-furo[3,2-c]pyran]-3,4'-dione |
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| Description | (2S,2'S)-2'-(3,4-dihydroxyphenyl)-6'-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methyl-2',4'-dihydro-3H-spiro[furan-2,3'-furo[3,2-c]pyran]-3,4'-dione belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. (2s,2's)-2'-(3,4-dihydroxyphenyl)-6'-[(1e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methyl-2'h-spiro[furan-2,3'-furo[3,2-c]pyran]-3,4'-dione is found in Hymenochaete xerantica. Based on a literature review very few articles have been published on (2S,2'S)-2'-(3,4-dihydroxyphenyl)-6'-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methyl-2',4'-dihydro-3H-spiro[furan-2,3'-furo[3,2-c]pyran]-3,4'-dione. |
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| Structure | COC1=CC(\C=C\C2=CC3=C(C(=O)O2)[C@]2(OC(C)=CC2=O)[C@@H](O3)C2=CC=C(O)C(O)=C2)=CC=C1O InChI=1S/C26H20O9/c1-13-9-22(30)26(35-13)23-21(34-24(26)15-5-8-17(27)19(29)11-15)12-16(33-25(23)31)6-3-14-4-7-18(28)20(10-14)32-2/h3-12,24,27-29H,1-2H3/b6-3+/t24-,26-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C26H20O9 |
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| Average Mass | 476.4370 Da |
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| Monoisotopic Mass | 476.11073 Da |
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| IUPAC Name | (2S,2'S)-2'-(3,4-dihydroxyphenyl)-6'-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methyl-2',4'-dihydro-3H-spiro[furan-2,3'-furo[3,2-c]pyran]-3,4'-dione |
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| Traditional Name | (2S,2'S)-2'-(3,4-dihydroxyphenyl)-6'-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methyl-2'H-spiro[furan-2,3'-furo[3,2-c]pyran]-3,4'-dione |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC(\C=C\C2=CC3=C(C(=O)O2)[C@]2(OC(C)=CC2=O)[C@@H](O3)C2=CC=C(O)C(O)=C2)=CC=C1O |
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| InChI Identifier | InChI=1S/C26H20O9/c1-13-9-22(30)26(35-13)23-21(34-24(26)15-5-8-17(27)19(29)11-15)12-16(33-25(23)31)6-3-14-4-7-18(28)20(10-14)32-2/h3-12,24,27-29H,1-2H3/b6-3+/t24-,26-/m0/s1 |
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| InChI Key | LNCIAIFVVJWMRV-FQWCPULVSA-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 methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Phenols |
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| Sub Class | Methoxyphenols |
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| Direct Parent | Methoxyphenols |
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| Alternative Parents | |
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| Substituents | - Methoxyphenol
- Phenoxy compound
- Methoxybenzene
- Styrene
- Phenol ether
- Catechol
- Anisole
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Pyranone
- Alkyl aryl ether
- Pyran
- 3-furanone
- Monocyclic benzene moiety
- Heteroaromatic compound
- Vinylogous ester
- Dihydrofuran
- Lactone
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Ether
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen 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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