Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-12 15:29:16 UTC |
---|
Updated at | 2022-09-12 15:29:16 UTC |
---|
NP-MRD ID | NP0330288 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-1,8-dihydroxy-6-methylanthracene-9,10-dione |
---|
Description | 2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-1,8-dihydroxy-6-methylanthracene-9,10-dione is found in Cratoxylum arborescens. Based on a literature review very few articles have been published on 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1,8-dihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione. |
---|
Structure | CC(C)=CCC\C(C)=C\CC1=CC=C2C(=O)C3=CC(C)=CC(O)=C3C(=O)C2=C1O InChI=1S/C25H26O4/c1-14(2)6-5-7-15(3)8-9-17-10-11-18-22(23(17)27)25(29)21-19(24(18)28)12-16(4)13-20(21)26/h6,8,10-13,26-27H,5,7,9H2,1-4H3/b15-8+ |
---|
Synonyms | Not Available |
---|
Chemical Formula | C25H26O4 |
---|
Average Mass | 390.4790 Da |
---|
Monoisotopic Mass | 390.18311 Da |
---|
IUPAC Name | 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1,8-dihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione |
---|
Traditional Name | 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1,8-dihydroxy-6-methylanthracene-9,10-dione |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC(C)=CCC\C(C)=C\CC1=CC=C2C(=O)C3=CC(C)=CC(O)=C3C(=O)C2=C1O |
---|
InChI Identifier | InChI=1S/C25H26O4/c1-14(2)6-5-7-15(3)8-9-17-10-11-18-22(23(17)27)25(29)21-19(24(18)28)12-16(4)13-20(21)26/h6,8,10-13,26-27H,5,7,9H2,1-4H3/b15-8+ |
---|
InChI Key | NNYGRKRBQXGQGY-OVCLIPMQSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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 | |
---|