Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 01:51:39 UTC |
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Updated at | 2021-07-15 16:49:02 UTC |
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NP-MRD ID | NP0004381 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Blazeispirol G |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | (1'R,2S,3R,4S,8'R,10'R,11'R,12'S)-5'-methoxy-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]Hexadecane]-2'(7'),3',5'-triene-3,8'-diol 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. Blazeispirol G is found in Agaricus blazei and Agaricus blazei Murill . It was first documented in 2002 (PMID: 12409027). Based on a literature review very few articles have been published on (1'R,2S,3R,4S,8'R,10'R,11'R,12'S)-5'-methoxy-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]Hexadecane]-2'(7'),3',5'-triene-3,8'-diol. |
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Structure | [H]O[C@]1([H])[C@]([H])(C([H])([H])[H])C(O[C@@]11O[C@@]23C4=C([H])C([H])=C(OC([H])([H])[H])C(=C4[C@]([H])(O[H])C([H])([H])[C@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C3([H])[H])[C@]1([H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C25H36O5/c1-13-19(28-7)9-8-17-20(13)18(26)12-23(6)16-10-11-24(17,23)30-25(14(16)2)21(27)15(3)22(4,5)29-25/h8-9,14-16,18,21,26-27H,10-12H2,1-7H3/t14-,15-,16+,18+,21+,23+,24-,25-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C25H36O5 |
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Average Mass | 416.5580 Da |
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Monoisotopic Mass | 416.25627 Da |
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IUPAC Name | (1'R,2S,3R,4S,8'R,10'R,11'R,12'S)-5'-methoxy-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0^{1,10}.0^{2,7}]hexadecane]-2',4',6'-triene-3,8'-diol |
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Traditional Name | (1'R,2S,3R,4S,8'R,10'R,11'R,12'S)-5'-methoxy-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0^{1,10}.0^{2,7}]hexadecane]-2',4',6'-triene-3,8'-diol |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(C)C2=C(C=C1)[C@]13CC[C@H]([C@H](C)[C@]4(OC(C)(C)[C@@H](C)[C@H]4O)O1)[C@@]3(C)C[C@H]2O |
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InChI Identifier | InChI=1S/C25H36O5/c1-13-19(28-7)9-8-17-20(13)18(26)12-23(6)16-10-11-24(17,23)30-25(14(16)2)21(27)15(3)22(4,5)29-25/h8-9,14-16,18,21,26-27H,10-12H2,1-7H3/t14-,15-,16+,18+,21+,23+,24-,25-/m0/s1 |
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InChI Key | MZTFHKCGOTZMAW-TUHYAZFOSA-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 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. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Naphthopyrans |
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Sub Class | Not Available |
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Direct Parent | Naphthopyrans |
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Alternative Parents | |
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Substituents | - Naphthopyran
- Naphthalene
- Tetralin
- Anisole
- Alkyl aryl ether
- Ketal
- Oxepane
- Benzenoid
- Oxane
- Pyran
- Oxolane
- Secondary alcohol
- Acetal
- Oxacycle
- Ether
- Alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen 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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