| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2021-06-20 23:09:23 UTC |
|---|
| Updated at | 2021-06-30 00:15:32 UTC |
|---|
| NP-MRD ID | NP0041181 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | zawadskinolide D |
|---|
| Provided By | JEOL Database |
|---|
| Description | zawadskinolide D is found in Dendranthema zawadskii var. latilobum. zawadskinolide D was first documented in 2012 (Shin, H. J., et al.). |
|---|
| 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])[H])[C@]([H])(O[H])C([H])([H])[C@]\1([H])O[H] InChI=1S/C15H22O5/c1-8-3-4-11-9(2)15(19)20-14(11)5-10(7-16)13(18)6-12(8)17/h5,9,11-14,16-18H,1,3-4,6-7H2,2H3/b10-5-/t9-,11+,12-,13+,14-/m1/s1 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C15H22O5 |
|---|
| Average Mass | 282.3360 Da |
|---|
| Monoisotopic Mass | 282.14672 Da |
|---|
| IUPAC Name | (3R,3aS,7R,9S,11aS)-7,9-dihydroxy-10-(hydroxymethyl)-3-methyl-6-methylidene-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one |
|---|
| Traditional Name | (3R,3aS,7R,9S,11aS)-7,9-dihydroxy-10-(hydroxymethyl)-3-methyl-6-methylidene-3H,3aH,4H,5H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one |
|---|
| CAS Registry Number | Not Available |
|---|
| 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])[H])[C@]([H])(O[H])C([H])([H])[C@]\1([H])O[H] |
|---|
| InChI Identifier | InChI=1S/C15H22O5/c1-8-3-4-11-9(2)15(19)20-14(11)5-10(7-16)13(18)6-12(8)17/h5,9,11-14,16-18H,1,3-4,6-7H2,2H3/b10-5-/t9-,11+,12-,13+,14-/m1/s1 |
|---|
| InChI Key | DXKDMYPOFFBVQD-OYOVZCIOSA-N |
|---|
| Experimental Spectra |
|---|
|
| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
|---|
| 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, 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, 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, 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 |
|---|
|
| Not Available | | Chemical Shift Submissions |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | | Species Name | Source | Reference |
|---|
| Dendranthema zawadskii var. latilobum | JEOL database | - Shin, H. J., et al, Chem. Pharm. Bull. 60, 306(2012)
|
|
|---|
| Chemical Taxonomy |
|---|
| Classification | Not classified |
|---|
| 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 | |
|---|