Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-01-05 21:42:08 UTC |
---|
Updated at | 2021-07-15 17:11:18 UTC |
---|
NP-MRD ID | NP0012268 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (+)-(10E,15R)-13-hydroxy-10,11-dehydrocurvularin |
---|
Provided By | NPAtlas |
---|
Description | (+)-(10E,15R)-13-hydroxy-10,11-dehydrocurvularin is found in Curvularia. It was first documented in 2008 (PMID: 24260014). |
---|
Structure | [H]OC1=C([H])C(O[H])=C2C(=C1[H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C([H])([H])\C([H])=C([H])/C2=O InChI=1S/C16H18O6/c1-9-5-11(17)3-2-4-13(19)16-10(7-15(21)22-9)6-12(18)8-14(16)20/h2,4,6,8-9,11,17-18,20H,3,5,7H2,1H3/b4-2-/t9-,11-/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C16H18O6 |
---|
Average Mass | 306.3140 Da |
---|
Monoisotopic Mass | 306.11034 Da |
---|
IUPAC Name | (4R,6R)-6,11,13-trihydroxy-4-methyl-2,4,5,6,7,10-hexahydro-1H-3-benzoxacyclododecine-2,10-dione |
---|
Traditional Name | (4R,6R)-6,11,13-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1H-3-benzoxacyclododecine-2,10-dione |
---|
CAS Registry Number | Not Available |
---|
SMILES | C[C@@H]1CC(O)C\C=C/C(=O)C2=C(O)C=C(O)C=C2CC(=O)O1 |
---|
InChI Identifier | InChI=1S/C16H18O6/c1-9-5-11(17)3-2-4-13(19)16-10(7-15(21)22-9)6-12(18)8-14(16)20/h2,4,6,8-9,11,17-18,20H,3,5,7H2,1H3/b4-2-/t9-,11?/m1/s1 |
---|
InChI Key | WOBBLYPFZHAXLD-GHVODYPTSA-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, 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 |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
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 | |
---|