| Record Information |
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| Version | 2.0 |
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| Created at | 2021-06-20 23:09:19 UTC |
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| Updated at | 2021-06-30 00:15:32 UTC |
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| NP-MRD ID | NP0041179 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | zawadskinolide B |
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| Provided By | JEOL Database |
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| Description | zawadskinolide B is found in Dendranthema zawadskii var. latilobum. zawadskinolide B was first documented in 2012 (Shin, H. J., et al.). |
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| Structure | [H]OC([H])([H])C1=C([H])/[C@@]2([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])\C(=C([H])/C([H])([H])[C@]\1([H])OC(=O)C([H])([H])[H])C([H])([H])[H] InChI=1S/C17H24O5/c1-10-4-6-14-11(2)17(20)22-16(14)8-13(9-18)15(7-5-10)21-12(3)19/h5,8,11,14-16,18H,4,6-7,9H2,1-3H3/b10-5-,13-8-/t11-,14+,15+,16-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C17H24O5 |
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| Average Mass | 308.3740 Da |
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| Monoisotopic Mass | 308.16237 Da |
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| IUPAC Name | (3R,3aS,9S,11aS)-10-(hydroxymethyl)-3,6-dimethyl-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-9-yl acetate |
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| Traditional Name | (3R,3aS,9S,11aS)-10-(hydroxymethyl)-3,6-dimethyl-2-oxo-3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-9-yl acetate |
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| CAS Registry Number | Not Available |
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| SMILES | [H]OC([H])([H])C1=C([H])/[C@@]2([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])\C(=C([H])/C([H])([H])[C@]\1([H])OC(=O)C([H])([H])[H])C([H])([H])[H] |
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| InChI Identifier | InChI=1S/C17H24O5/c1-10-4-6-14-11(2)17(20)22-16(14)8-13(9-18)15(7-5-10)21-12(3)19/h5,8,11,14-16,18H,4,6-7,9H2,1-3H3/b10-5-,13-8-/t11-,14+,15+,16-/m1/s1 |
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| InChI Key | JPWORBJNDSGDOJ-UIWIQBKHSA-N |
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| Experimental Spectra |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 13C NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | 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 | | Species Name | Source | Reference |
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| Dendranthema zawadskii var. latilobum | JEOL database | - Shin, H. J., et al, Chem. Pharm. Bull. 60, 306(2012)
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| Chemical Taxonomy |
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| Classification | Not classified |
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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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