Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 01:38:29 UTC |
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Updated at | 2022-09-12 01:38:30 UTC |
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NP-MRD ID | NP0322710 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 4-methoxy-3-methyl-5-[(1s,2r,3s,4e,11s)-3-methyl-11-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridec-6-en-4-ylidene]furan-2-one |
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Description | 4-Methoxy-3-methyl-5-[(1S,2R,3S,4E,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.0²,⁶]Tridec-6-en-4-ylidene]-2,5-dihydrofuran-2-one belongs to the class of organic compounds known as stemoamide-type alkaloids. These are alkaloids which include a tricyclic 2H-furo[3,2-c]pyrrolo[1,2-a]azepine nucleus. 4-methoxy-3-methyl-5-[(1s,2r,3s,4e,11s)-3-methyl-11-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridec-6-en-4-ylidene]furan-2-one is found in Stemona curtisii. Based on a literature review very few articles have been published on 4-methoxy-3-methyl-5-[(1S,2R,3S,4E,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.0²,⁶]Tridec-6-en-4-ylidene]-2,5-dihydrofuran-2-one. |
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Structure | COC1=C(C)C(=O)O\C1=C1\OC2=CCCN3[C@@H](CC[C@H]3[C@H]2[C@@H]1C)[C@@H]1C[C@H](C)C(=O)O1 InChI=1S/C23H29NO6/c1-11-10-17(29-22(11)25)14-7-8-15-18-12(2)20(28-16(18)6-5-9-24(14)15)21-19(27-4)13(3)23(26)30-21/h6,11-12,14-15,17-18H,5,7-10H2,1-4H3/b21-20+/t11-,12-,14-,15-,17-,18+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H29NO6 |
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Average Mass | 415.4860 Da |
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Monoisotopic Mass | 415.19949 Da |
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IUPAC Name | 4-methoxy-3-methyl-5-[(1S,2R,3S,4E,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.0^{2,6}]tridec-6-en-4-ylidene]-2,5-dihydrofuran-2-one |
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Traditional Name | 4-methoxy-3-methyl-5-[(1S,2R,3S,4E,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.0^{2,6}]tridec-6-en-4-ylidene]furan-2-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(C)C(=O)O\C1=C1\OC2=CCCN3[C@@H](CC[C@H]3[C@H]2[C@@H]1C)[C@@H]1C[C@H](C)C(=O)O1 |
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InChI Identifier | InChI=1S/C23H29NO6/c1-11-10-17(29-22(11)25)14-7-8-15-18-12(2)20(28-16(18)6-5-9-24(14)15)21-19(27-4)13(3)23(26)30-21/h6,11-12,14-15,17-18H,5,7-10H2,1-4H3/b21-20+/t11-,12-,14-,15-,17-,18+/m0/s1 |
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InChI Key | NYZQJBRFZJFPKA-AUJUDHOHSA-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 stemoamide-type alkaloids. These are alkaloids which include a tricyclic 2H-furo[3,2-c]pyrrolo[1,2-a]azepine nucleus. |
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Kingdom | Organic compounds |
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Super Class | Alkaloids and derivatives |
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Class | Stemona alkaloids |
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Sub Class | Stemoamide-type alkaloids |
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Direct Parent | Stemoamide-type alkaloids |
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Alternative Parents | |
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Substituents | - Stemoamide backbone
- Azepine
- 2-furanone
- Dicarboxylic acid or derivatives
- Gamma butyrolactone
- N-alkylpyrrolidine
- Vinylogous ester
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tetrahydrofuran
- Pyrrolidine
- Dihydrofuran
- Enol ester
- Tertiary aliphatic amine
- Tertiary amine
- Carboxylic acid ester
- Lactone
- Amino acid or derivatives
- Azacycle
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Organopnictogen compound
- Organonitrogen compound
- Amine
- Organooxygen compound
- Organic nitrogen compound
- Carbonyl group
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic 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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