Record Information |
---|
Version | 1.0 |
---|
Created at | 2024-04-22 17:50:07 UTC |
---|
Updated at | 2024-04-22 17:51:23 UTC |
---|
NP-MRD ID | NP0332823 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Proelasnin B1 |
---|
Description | Not Available |
---|
Structure | CCCCC1=C(O)C(CCCC)=C(CCCC(C)C)OC1=O InChI=1S/C19H32O3/c1-5-7-11-15-17(13-9-10-14(3)4)22-19(21)16(18(15)20)12-8-6-2/h14,20H,5-13H2,1-4H3 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C19H32O3 |
---|
Average Mass | 308.4620 Da |
---|
Monoisotopic Mass | 308.23514 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | Not Available |
---|
SMILES | CCCCC1=C(O)C(CCCC)=C(CCCC(C)C)OC1=O |
---|
InChI Identifier | InChI=1S/C19H32O3/c1-5-7-11-15-17(13-9-10-14(3)4)22-19(21)16(18(15)20)12-8-6-2/h14,20H,5-13H2,1-4H3 |
---|
InChI Key | RTVUPAASMNUCHW-UHFFFAOYSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | 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 | |
---|