Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 21:49:00 UTC |
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Updated at | 2022-04-28 21:49:00 UTC |
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NP-MRD ID | NP0076624 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Harunmadagascarin C |
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Description | (3S)-5,6-dihydroxy-2,2,3,8-tetramethyl-11,11-bis(3-methylbut-2-en-1-yl)-2H,3H,4H,11H-anthra[2,3-b]furan-4-one belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. (+)-Harunmadagascarin C is found in Harungana madagascariensis and Harungana madagascariensis Lam.ex.Poir. . Based on a literature review very few articles have been published on (3S)-5,6-dihydroxy-2,2,3,8-tetramethyl-11,11-bis(3-methylbut-2-en-1-yl)-2H,3H,4H,11H-anthra[2,3-b]furan-4-one. |
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Structure | C[C@H]1C2=C(OC1(C)C)C(CC=C(C)C)(CC=C(C)C)C1=C(C2=O)C(O)=C2C(O)=CC(C)=CC2=C1 InChI=1S/C30H36O4/c1-16(2)9-11-30(12-10-17(3)4)21-15-20-13-18(5)14-22(31)24(20)27(33)25(21)26(32)23-19(6)29(7,8)34-28(23)30/h9-10,13-15,19,31,33H,11-12H2,1-8H3/t19-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C30H36O4 |
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Average Mass | 460.6140 Da |
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Monoisotopic Mass | 460.26136 Da |
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IUPAC Name | (3S)-5,6-dihydroxy-2,2,3,8-tetramethyl-11,11-bis(3-methylbut-2-en-1-yl)-2H,3H,4H,11H-anthra[2,3-b]furan-4-one |
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Traditional Name | (3S)-5,6-dihydroxy-2,2,3,8-tetramethyl-11,11-bis(3-methylbut-2-en-1-yl)-3H-anthra[2,3-b]furan-4-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1C2=C(OC1(C)C)C(CC=C(C)C)(CC=C(C)C)C1=C(C2=O)C(O)=C2C(O)=CC(C)=CC2=C1 |
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InChI Identifier | InChI=1S/C30H36O4/c1-16(2)9-11-30(12-10-17(3)4)21-15-20-13-18(5)14-22(31)24(20)27(33)25(21)26(32)23-19(6)29(7,8)34-28(23)30/h9-10,13-15,19,31,33H,11-12H2,1-8H3/t19-/m0/s1 |
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InChI Key | AXIJTAQSMFBWGD-IBGZPJMESA-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 naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Naphthofurans |
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Sub Class | Not Available |
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Direct Parent | Naphthofurans |
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Alternative Parents | |
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Substituents | - Naphthofuran
- 1-naphthol
- Naphthalene
- Aryl ketone
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Vinylogous ester
- Vinylogous acid
- Dihydrofuran
- Ketone
- Oxacycle
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- 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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