| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2022-09-06 12:51:01 UTC |
|---|
| Updated at | 2022-09-06 12:51:01 UTC |
|---|
| NP-MRD ID | NP0231828 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | (1r,10s)-5-methoxy-4-(3-methylbut-2-en-1-yl)-17-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaen-14-ol |
|---|
| Description | (1R,10S)-5-methoxy-4-(3-methylbut-2-en-1-yl)-17-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-2,4,6,11(16),12,14-hexaen-14-ol 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. (1r,10s)-5-methoxy-4-(3-methylbut-2-en-1-yl)-17-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaen-14-ol is found in Erythrina fusca. Based on a literature review very few articles have been published on (1R,10S)-5-methoxy-4-(3-methylbut-2-en-1-yl)-17-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-2,4,6,11(16),12,14-hexaen-14-ol. |
|---|
| Structure | COC1=CC2=C(C=C1CC=C(C)C)[C@@H]1OC3=CC(O)=CC=C3[C@@H]1CC2 InChI=1S/C22H24O3/c1-13(2)4-5-15-10-19-14(11-20(15)24-3)6-8-18-17-9-7-16(23)12-21(17)25-22(18)19/h4,7,9-12,18,22-23H,5-6,8H2,1-3H3/t18-,22+/m0/s1 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C22H24O3 |
|---|
| Average Mass | 336.4310 Da |
|---|
| Monoisotopic Mass | 336.17254 Da |
|---|
| IUPAC Name | (1R,10S)-5-methoxy-4-(3-methylbut-2-en-1-yl)-17-oxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11,13,15-hexaen-14-ol |
|---|
| Traditional Name | (1R,10S)-5-methoxy-4-(3-methylbut-2-en-1-yl)-17-oxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11,13,15-hexaen-14-ol |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | COC1=CC2=C(C=C1CC=C(C)C)[C@@H]1OC3=CC(O)=CC=C3[C@@H]1CC2 |
|---|
| InChI Identifier | InChI=1S/C22H24O3/c1-13(2)4-5-15-10-19-14(11-20(15)24-3)6-8-18-17-9-7-16(23)12-21(17)25-22(18)19/h4,7,9-12,18,22-23H,5-6,8H2,1-3H3/t18-,22+/m0/s1 |
|---|
| InChI Key | RRFCCVUVTGTWNN-PGRDOPGGSA-N |
|---|
| Experimental Spectra |
|---|
|
| Not Available | | Predicted Spectra |
|---|
|
| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
|---|
| 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 |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organoheterocyclic compounds |
|---|
| Class | Naphthofurans |
|---|
| Sub Class | Not Available |
|---|
| Direct Parent | Naphthofurans |
|---|
| Alternative Parents | |
|---|
| Substituents | - Naphthofuran
- Tetralin
- Coumaran
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Benzenoid
- Oxacycle
- Ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aromatic heteropolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|