| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-12 05:52:36 UTC |
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| Updated at | 2022-09-12 05:52:37 UTC |
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| NP-MRD ID | NP0325261 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 8,16-dimethoxy-4,4,5-trimethyl-8-(3-methylbut-2-en-1-yl)-3,12-dioxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1(9),2(6),10,13,15-pentaen-7-one |
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| Description | 8,16-Dimethoxy-4,4,5-trimethyl-8-(3-methylbut-2-en-1-yl)-3,12-dioxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]Hexadeca-1(9),2(6),10,13,15-pentaen-7-one belongs to the class of organic compounds known as furopyridines. These are aromatic heterocyclic compounds containing a furopyridine ring system, which consists of a furan ring fused to a pyridine ring. 8,16-dimethoxy-4,4,5-trimethyl-8-(3-methylbut-2-en-1-yl)-3,12-dioxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1(9),2(6),10,13,15-pentaen-7-one is found in Sarcomelicope follicularis. 8,16-Dimethoxy-4,4,5-trimethyl-8-(3-methylbut-2-en-1-yl)-3,12-dioxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]Hexadeca-1(9),2(6),10,13,15-pentaen-7-one is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | COC1=C2C=COC2=NC2=C1C1=C(C(C)C(C)(C)O1)C(=O)C2(CC=C(C)C)OC InChI=1S/C23H27NO5/c1-12(2)8-10-23(27-7)19-16(17(26-6)14-9-11-28-21(14)24-19)18-15(20(23)25)13(3)22(4,5)29-18/h8-9,11,13H,10H2,1-7H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C23H27NO5 |
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| Average Mass | 397.4710 Da |
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| Monoisotopic Mass | 397.18892 Da |
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| IUPAC Name | 8,16-dimethoxy-4,4,5-trimethyl-8-(3-methylbut-2-en-1-yl)-3,12-dioxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1(9),2(6),10,13,15-pentaen-7-one |
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| Traditional Name | 8,16-dimethoxy-4,4,5-trimethyl-8-(3-methylbut-2-en-1-yl)-3,12-dioxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1(9),2(6),10,13,15-pentaen-7-one |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=C2C=COC2=NC2=C1C1=C(C(C)C(C)(C)O1)C(=O)C2(CC=C(C)C)OC |
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| InChI Identifier | InChI=1S/C23H27NO5/c1-12(2)8-10-23(27-7)19-16(17(26-6)14-9-11-28-21(14)24-19)18-15(20(23)25)13(3)22(4,5)29-18/h8-9,11,13H,10H2,1-7H3 |
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| InChI Key | IYJHFODRNNISAH-UHFFFAOYSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | 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 furopyridines. These are aromatic heterocyclic compounds containing a furopyridine ring system, which consists of a furan ring fused to a pyridine ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Furopyridines |
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| Sub Class | Not Available |
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| Direct Parent | Furopyridines |
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| Alternative Parents | |
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| Substituents | - Furopyridine
- Alkyl aryl ether
- Pyridine
- Dihydrofuran
- Furan
- Heteroaromatic compound
- Vinylogous ester
- Ketone
- Dialkyl ether
- Ether
- Oxacycle
- Azacycle
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic nitrogen 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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