Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-01-05 19:34:31 UTC |
---|
Updated at | 2021-07-15 17:04:26 UTC |
---|
NP-MRD ID | NP0009856 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (+)-daeschol A |
---|
Provided By | NPAtlas |
---|
Description | (+)-daeschol A is found in Daldinia and Daldinia eschscholtzii. It was first documented in 2011 (PMID: 21434637). Based on a literature review very few articles have been published on (+)-daeschol A. |
---|
Structure | [H]OC1=C([H])C([H])=C2C3=C(C([H])=C([H])C(O[H])=C13)[C@]13C4=C([H])C([H])=C([H])C(O[H])=C4C(=O)C([H])([H])[C@@]1([H])[C@]1([H])C(=O)[C@]23C2=C([H])C([H])=C([H])C(O[H])=C2C1=O InChI=1S/C30H18O7/c31-17-5-1-3-12-23(17)21(35)11-16-25-27(36)24-13(4-2-6-18(24)32)30(28(25)37)15-8-10-20(34)26-19(33)9-7-14(22(15)26)29(12,16)30/h1-10,16,25,31-34H,11H2/t16-,25-,29+,30-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C30H18O7 |
---|
Average Mass | 490.4670 Da |
---|
Monoisotopic Mass | 490.10525 Da |
---|
IUPAC Name | (2S,10R,11S,20S)-7,15,24,26-tetrahydroxyoctacyclo[19.7.1.1^{2,10}.0^{2,20}.0^{3,8}.0^{11,20}.0^{14,19}.0^{25,29}]triaconta-1(28),3,5,7,14,16,18,21(29),22,24,26-undecaene-9,13,30-trione |
---|
Traditional Name | (2S,10R,11S,20S)-7,15,24,26-tetrahydroxyoctacyclo[19.7.1.1^{2,10}.0^{2,20}.0^{3,8}.0^{11,20}.0^{14,19}.0^{25,29}]triaconta-1(28),3,5,7,14,16,18,21(29),22,24,26-undecaene-9,13,30-trione |
---|
CAS Registry Number | Not Available |
---|
SMILES | OC1=CC=C2C3=C(C=CC(O)=C13)[C@@]13C(=O)[C@@H]([C@@H]4CC(=O)C5=C(C=CC=C5O)[C@]214)C(=O)C1=C3C=CC=C1O |
---|
InChI Identifier | InChI=1S/C30H18O7/c31-17-5-1-3-12-23(17)21(35)11-16-25-27(36)24-13(4-2-6-18(24)32)30(28(25)37)15-8-10-20(34)26-19(33)9-7-14(22(15)26)29(12,16)30/h1-10,16,25,31-34H,11H2/t16-,25-,29+,30-/m0/s1 |
---|
InChI Key | HDLPRNWPQXNMHN-FFWDYWKCSA-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 | |
---|