Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-06-19 23:47:24 UTC |
---|
Updated at | 2021-06-30 00:02:47 UTC |
---|
NP-MRD ID | NP0033171 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | eucomoside A |
---|
Provided By | JEOL Database |
---|
Description | eucomoside A is found in Eucommia ulmoides. It was first documented in 2007 (Takamura, C., et al.). |
---|
Structure | [H]OC([H])([H])[C@@]1([H])O[C@@]2([H])O[C@]3([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@]1([H])O[H])[C@@]1([H])C(=O)O[C@@]2([H])C([H])=C(C([H])([H])OC(=O)C([H])([H])[H])[C@]3([H])[C@@]12[H] InChI=1S/C18H22O11/c1-5(20)24-4-6-2-7-10-9(6)16-28-17(11(10)15(23)25-7)27-14-13(22)12(21)8(3-19)26-18(14)29-16/h2,7-14,16-19,21-22H,3-4H2,1H3/t7-,8+,9+,10-,11+,12+,13+,14-,16-,17-,18-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C18H22O11 |
---|
Average Mass | 414.3630 Da |
---|
Monoisotopic Mass | 414.11621 Da |
---|
IUPAC Name | [(1S,3S,5R,6S,7R,8S,10S,11S,14R,17S,19S)-6,7-dihydroxy-5-(hydroxymethyl)-12-oxo-2,4,9,13,18-pentaoxapentacyclo[8.7.1.1^{11,14}.0^{3,8}.0^{17,19}]nonadec-15-en-16-yl]methyl acetate |
---|
Traditional Name | [(1S,3S,5R,6S,7R,8S,10S,11S,14R,17S,19S)-6,7-dihydroxy-5-(hydroxymethyl)-12-oxo-2,4,9,13,18-pentaoxapentacyclo[8.7.1.1^{11,14}.0^{3,8}.0^{17,19}]nonadec-15-en-16-yl]methyl acetate |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H]OC([H])([H])[C@@]1([H])O[C@@]2([H])O[C@]3([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@]1([H])O[H])[C@@]1([H])C(=O)O[C@@]2([H])C([H])=C(C([H])([H])OC(=O)C([H])([H])[H])[C@]3([H])[C@@]12[H] |
---|
InChI Identifier | InChI=1S/C18H22O11/c1-5(20)24-4-6-2-7-10-9(6)16-28-17(11(10)15(23)25-7)27-14-13(22)12(21)8(3-19)26-18(14)29-16/h2,7-14,16-19,21-22H,3-4H2,1H3/t7-,8+,9+,10-,11+,12+,13+,14-,16-,17-,18-/m0/s1 |
---|
InChI Key | IMYNUOFRENGSJB-YTQQEEFESA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, C5D5N, 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 |
---|
Eucommia ulmoides | JEOL database | - Takamura, C., et al, J. Nat. Prod. 70, 1312 (2007)
|
|
---|
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 | |
---|