Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 23:37:15 UTC |
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Updated at | 2022-04-28 23:37:15 UTC |
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NP-MRD ID | NP0078561 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (-)-Larixsin |
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Description | 4-[(2R,3R,4S,5S)-4-{[(2S,3S)-4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]methyl}-5-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol belongs to the class of organic compounds known as 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton. (-)-Larixsin is found in Larix olgensis var. koreana. Based on a literature review very few articles have been published on 4-[(2R,3R,4S,5S)-4-{[(2S,3S)-4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]methyl}-5-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol. |
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Structure | COC1=CC(C[C@H](CO)[C@@H](COC[C@@H]2[C@H](CO)[C@@H](O[C@@H]2C2=CC=C(O)C(OC)=C2)C2=CC(OC)=C(O)C=C2)CC2=CC=C(O)C(OC)=C2)=CC=C1O InChI=1S/C40H48O12/c1-47-35-15-23(5-9-31(35)43)13-27(19-41)28(14-24-6-10-32(44)36(16-24)48-2)21-51-22-30-29(20-42)39(25-7-11-33(45)37(17-25)49-3)52-40(30)26-8-12-34(46)38(18-26)50-4/h5-12,15-18,27-30,39-46H,13-14,19-22H2,1-4H3/t27-,28-,29+,30-,39+,40-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C40H48O12 |
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Average Mass | 720.8120 Da |
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Monoisotopic Mass | 720.31458 Da |
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IUPAC Name | 4-[(2S,3S,4R,5R)-3-{[(2S,3S)-4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]methyl}-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol |
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Traditional Name | 4-[(2S,3S,4R,5R)-3-{[(2S,3S)-4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]methyl}-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC(C[C@H](CO)[C@@H](COC[C@@H]2[C@H](CO)[C@@H](O[C@@H]2C2=CC=C(O)C(OC)=C2)C2=CC(OC)=C(O)C=C2)CC2=CC=C(O)C(OC)=C2)=CC=C1O |
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InChI Identifier | InChI=1S/C40H48O12/c1-47-35-15-23(5-9-31(35)43)13-27(19-41)28(14-24-6-10-32(44)36(16-24)48-2)21-51-22-30-29(20-42)39(25-7-11-33(45)37(17-25)49-3)52-40(30)26-8-12-34(46)38(18-26)50-4/h5-12,15-18,27-30,39-46H,13-14,19-22H2,1-4H3/t27-,28-,29+,30-,39+,40-/m1/s1 |
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InChI Key | HEQFNYMONDABQG-PICCFFPDSA-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 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton. |
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Kingdom | Organic compounds |
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Super Class | Lignans, neolignans and related compounds |
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Class | Furanoid lignans |
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Sub Class | Tetrahydrofuran lignans |
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Direct Parent | 7,7'-epoxylignans |
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Alternative Parents | |
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Substituents | - 7,7p-epoxylignan
- Dibenzylbutane lignan skeleton
- Methoxyphenol
- Phenoxy compound
- Methoxybenzene
- Phenol ether
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Alkyl aryl ether
- Benzenoid
- Monocyclic benzene moiety
- Tetrahydrofuran
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic 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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