Record Information |
---|
Version | 2.0 |
---|
Created at | 2023-10-23 12:02:04 UTC |
---|
Updated at | 2024-09-03 04:17:43 UTC |
---|
NP-MRD ID | NP0332013 |
---|
Natural Product DOI | https://doi.org/10.57994/1141 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | amphicordin D |
---|
Description | Amphicordin D belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. amphicordin D was first documented in 2023 (PMID: 37967166). Based on a literature review very few articles have been published on amphicordin D. |
---|
Structure | [H][C@@]12OC(C)(C)[C@@H](C[C@@]11O[C@H]1C1=C([C@H]2OC)C(=O)CC(C)(C)O1)OC(C)=O InChI=1S/C19H26O7/c1-9(20)23-11-8-19-15(25-18(11,4)5)13(22-6)12-10(21)7-17(2,3)24-14(12)16(19)26-19/h11,13,15-16H,7-8H2,1-6H3/t11-,13-,15+,16+,19-/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C19H26O7 |
---|
Average Mass | 366.4100 Da |
---|
Monoisotopic Mass | 366.16785 Da |
---|
IUPAC Name | (1R,3S,10R,11S,14R)-10-methoxy-6,6,13,13-tetramethyl-8-oxo-2,5,12-trioxatetracyclo[9.4.0.0^{1,3}.0^{4,9}]pentadec-4(9)-en-14-yl acetate |
---|
Traditional Name | (1R,3S,10R,11S,14R)-10-methoxy-6,6,13,13-tetramethyl-8-oxo-2,5,12-trioxatetracyclo[9.4.0.0^{1,3}.0^{4,9}]pentadec-4(9)-en-14-yl acetate |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H][C@@]12OC(C)(C)[C@@H](C[C@@]11O[C@H]1C1=C([C@H]2OC)C(=O)CC(C)(C)O1)OC(C)=O |
---|
InChI Identifier | InChI=1S/C19H26O7/c1-9(20)23-11-8-19-15(25-18(11,4)5)13(22-6)12-10(21)7-17(2,3)24-14(12)16(19)26-19/h11,13,15-16H,7-8H2,1-6H3/t11-,13-,15+,16+,19-/m1/s1 |
---|
InChI Key | DNYAMYJCZDCTFO-OZASHDCVSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 617572349@qq.com | Not Available | Not Available | 2024-05-04 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 617572349@qq.com | Not Available | Not Available | 2024-05-04 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 617572349@qq.com | Not Available | Not Available | 2024-05-04 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 617572349@qq.com | Not Available | Not Available | 2024-05-04 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | 617572349@qq.com | Not Available | Not Available | 2024-05-04 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | 617572349@qq.com | Not Available | Not Available | 2024-05-04 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | 617572349@qq.com | Not Available | Not Available | 2024-05-04 | View Spectrum |
| Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
| Chemical Shift Submissions |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 1H NMR Spectrum (1D, 400, CDCl3, simulated) | 617572349@qq.com | SYSU | jiangmh | 2024-05-04 | View Spectrum |
| Species |
---|
Species of Origin | Species Name | Source | Reference |
---|
felina | | |
|
---|
Chemical Taxonomy |
---|
Description | This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Fatty Acyls |
---|
Sub Class | Fatty alcohol esters |
---|
Direct Parent | Fatty alcohol esters |
---|
Alternative Parents | |
---|
Substituents | - Fatty alcohol ester
- Dihydropyranone
- Alpha-branched alpha,beta-unsaturated-ketone
- Oxane
- Monosaccharide
- Alpha,beta-unsaturated ketone
- Enone
- Acryloyl-group
- Ketone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Ether
- Oxirane
- Dialkyl ether
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aliphatic heteropolycyclic compound
|
---|
Molecular Framework | Aliphatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
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 | |
---|