Record Information |
---|
Version | 1.0 |
---|
Created at | 2020-12-09 04:27:07 UTC |
---|
Updated at | 2021-07-15 16:58:05 UTC |
---|
NP-MRD ID | NP0007623 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Kasanosin A |
---|
Provided By | NPAtlas |
---|
Description | Kasanosin A is found in Talaromyces sp. It was first documented in 2008 (PMID: 18308572). Based on a literature review very few articles have been published on (6S,7S)-7-hydroxy-3-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methyl-8-oxo-5,6,7,8-tetrahydro-1H-isochromen-6-yl 2-hydroxy-4-methoxy-6-methylbenzoate. |
---|
Structure | [H]OC1=C([H])C(OC([H])([H])[H])=C([H])C(=C1C(=O)O[C@@]1([H])C([H])([H])C2=C(C(=O)[C@]1(O[H])C([H])([H])[H])C([H])([H])OC(\C([H])=C(/[H])C([H])([H])O[H])=C2[H])C([H])([H])[H] InChI=1S/C22H24O8/c1-12-7-15(28-3)10-17(24)19(12)21(26)30-18-9-13-8-14(5-4-6-23)29-11-16(13)20(25)22(18,2)27/h4-5,7-8,10,18,23-24,27H,6,9,11H2,1-3H3/b5-4+/t18-,22-/m0/s1 |
---|
Synonyms | Value | Source |
---|
(6S,7S)-7-Hydroxy-3-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methyl-8-oxo-5,6,7,8-tetrahydro-1H-isochromen-6-yl 2-hydroxy-4-methoxy-6-methylbenzoic acid | Generator |
|
---|
Chemical Formula | C22H24O8 |
---|
Average Mass | 416.4260 Da |
---|
Monoisotopic Mass | 416.14712 Da |
---|
IUPAC Name | (6S,7S)-7-hydroxy-3-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methyl-8-oxo-5,6,7,8-tetrahydro-1H-isochromen-6-yl 2-hydroxy-4-methoxy-6-methylbenzoate |
---|
Traditional Name | (6S,7S)-7-hydroxy-3-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-6-yl 2-hydroxy-4-methoxy-6-methylbenzoate |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=CC(O)=C(C(=O)O[C@H]2CC3=C(COC(\C=C\CO)=C3)C(=O)[C@@]2(C)O)C(C)=C1 |
---|
InChI Identifier | InChI=1S/C22H24O8/c1-12-7-15(28-3)10-17(24)19(12)21(26)30-18-9-13-8-14(5-4-6-23)29-11-16(13)20(25)22(18,2)27/h4-5,7-8,10,18,23-24,27H,6,9,11H2,1-3H3/b5-4+/t18-,22-/m0/s1 |
---|
InChI Key | BZFOKKQJMFIXDI-NQQCORKOSA-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 | |
---|
Species Where Detected | |
---|
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 | |
---|