Record Information |
---|
Version | 1.0 |
---|
Created at | 2023-10-14 04:15:41 UTC |
---|
Updated at | 2024-04-19 09:57:18 UTC |
---|
NP-MRD ID | NP0331981 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 4S-7-deoxypapyracillic acid A |
---|
Description | Not Available |
---|
Structure | COC1=CC(=O)O[C@]11O[C@H](C)[C@@H](C)C1=C InChI=1S/C11H14O4/c1-6-7(2)11(14-8(6)3)9(13-4)5-10(12)15-11/h5-6,8H,2H2,1,3-4H3/t6-,8+,11-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C11H14O4 |
---|
Average Mass | 210.2290 Da |
---|
Monoisotopic Mass | 210.08921 Da |
---|
IUPAC Name | (5S,7R,8S)-4-methoxy-7,8-dimethyl-9-methylidene-1,6-dioxaspiro[4.4]non-3-en-2-one |
---|
Traditional Name | (5S,7R,8S)-4-methoxy-7,8-dimethyl-9-methylidene-1,6-dioxaspiro[4.4]non-3-en-2-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=CC(=O)O[C@]11O[C@H](C)[C@@H](C)C1=C |
---|
InChI Identifier | InChI=1S/C11H14O4/c1-6-7(2)11(14-8(6)3)9(13-4)5-10(12)15-11/h5-6,8H,2H2,1,3-4H3/t6-,8+,11-/m0/s1 |
---|
InChI Key | YZSKMAFUMIKUKQ-QXHCQDJKSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | jrivera@iquimica.unam.mx | Not Available | Not Available | 2023-10-14 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | jrivera@iquimica.unam.mx | Not Available | Not Available | 2023-10-14 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | jrivera@iquimica.unam.mx | Not Available | Not Available | 2023-10-14 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | jrivera@iquimica.unam.mx | Not Available | Not Available | 2023-10-14 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | jrivera@iquimica.unam.mx | Not Available | Not Available | 2023-10-14 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Not Available |
---|
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 | |
---|