| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2022-09-07 14:45:38 UTC |
|---|
| Updated at | 2022-09-07 14:45:38 UTC |
|---|
| NP-MRD ID | NP0251538 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | 15-hydroxy-2,7,7,14,17,20-hexamethyl-5,8,16,18,21-pentaoxaspiro[octacyclo[12.8.1.0¹,¹⁹.0²,¹².0⁴,⁶.0⁶,¹¹.0¹²,¹⁷.0¹⁵,¹⁹]tricosane-23,2'-oxiran]-10-ene-9,22-dione |
|---|
| Description | 15-Hydroxy-2,7,7,14,17,20-hexamethyl-5,8,16,18,21-pentaoxaspiro[octacyclo[12.8.1.0¹,¹⁹.0²,¹².0⁴,⁶.0⁶,¹¹.0¹²,¹⁷.0¹⁵,¹⁹]Tricosane-23,2'-oxiran]-10-ene-9,22-dione belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. 15-hydroxy-2,7,7,14,17,20-hexamethyl-5,8,16,18,21-pentaoxaspiro[octacyclo[12.8.1.0¹,¹⁹.0²,¹².0⁴,⁶.0⁶,¹¹.0¹²,¹⁷.0¹⁵,¹⁹]tricosane-23,2'-oxiran]-10-ene-9,22-dione is found in Talaromyces purpureogenus. Based on a literature review very few articles have been published on 15-hydroxy-2,7,7,14,17,20-hexamethyl-5,8,16,18,21-pentaoxaspiro[octacyclo[12.8.1.0¹,¹⁹.0²,¹².0⁴,⁶.0⁶,¹¹.0¹²,¹⁷.0¹⁵,¹⁹]Tricosane-23,2'-oxiran]-10-ene-9,22-dione. |
|---|
| Structure | CC1OC(=O)C23C4(CO4)C4(C)CC5(C6=CC(=O)OC(C)(C)C66OC6CC25C)C2(C)OC4(O)C13O2 InChI=1S/C25H28O9/c1-11-24-23(15(27)30-11)17(4)8-13-22(31-13)12(7-14(26)32-16(22,2)3)20(17)9-18(5,21(23)10-29-21)25(24,28)34-19(20,6)33-24/h7,11,13,28H,8-10H2,1-6H3 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C25H28O9 |
|---|
| Average Mass | 472.4900 Da |
|---|
| Monoisotopic Mass | 472.17333 Da |
|---|
| IUPAC Name | 15-hydroxy-2,7,7,14,17,20-hexamethyl-5,8,16,18,21-pentaoxaspiro[octacyclo[12.8.1.0^{1,19}.0^{2,12}.0^{4,6}.0^{6,11}.0^{12,17}.0^{15,19}]tricosane-23,2'-oxiran]-10-ene-9,22-dione |
|---|
| Traditional Name | 15-hydroxy-2,7,7,14,17,20-hexamethyl-5,8,16,18,21-pentaoxaspiro[octacyclo[12.8.1.0^{1,19}.0^{2,12}.0^{4,6}.0^{6,11}.0^{12,17}.0^{15,19}]tricosane-23,2'-oxiran]-10-ene-9,22-dione |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CC1OC(=O)C23C4(CO4)C4(C)CC5(C6=CC(=O)OC(C)(C)C66OC6CC25C)C2(C)OC4(O)C13O2 |
|---|
| InChI Identifier | InChI=1S/C25H28O9/c1-11-24-23(15(27)30-11)17(4)8-13-22(31-13)12(7-14(26)32-16(22,2)3)20(17)9-18(5,21(23)10-29-21)25(24,28)34-19(20,6)33-24/h7,11,13,28H,8-10H2,1-6H3 |
|---|
| InChI Key | AFTWYBGCXZDDHS-UHFFFAOYSA-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 naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five 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 | Naphthopyrans |
|---|
| Sub Class | Not Available |
|---|
| Direct Parent | Naphthopyrans |
|---|
| Alternative Parents | |
|---|
| Substituents | - Naphthopyran
- Naphthalene
- Furopyran
- Ketal
- Dihydropyranone
- Oxepane
- Dicarboxylic acid or derivatives
- Pyran
- Oxane
- Gamma butyrolactone
- Meta-dioxolane
- Cyclic alcohol
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tetrahydrofuran
- Furan
- Carboxylic acid ester
- Lactone
- Hemiacetal
- Ether
- Oxirane
- Oxacycle
- Dialkyl ether
- Carboxylic acid derivative
- Acetal
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Organooxygen compound
- Aliphatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aliphatic 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 | |
|---|