| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2025-03-06 15:57:15 UTC |
|---|
| Updated at | 2025-09-09 01:02:13 UTC |
|---|
| NP-MRD ID | NP0350790 |
|---|
| Natural Product DOI | https://doi.org/10.57994/3774 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | Chamelauciumol I |
|---|
| Description | Based on a literature review very few articles have been published on Chamelauciumol I. |
|---|
| Structure | COC1=CC2=C(C(CC(C)C)C3=C(O2)C(C)(C)C(=O)C(C)(C)C3=O)C(O)=C1C(=O)\C=C\C1=CC=CC=C1 InChI=1/C31H34O6/c1-17(2)15-19-23-22(37-28-24(19)27(34)30(3,4)29(35)31(28,5)6)16-21(36-7)25(26(23)33)20(32)14-13-18-11-9-8-10-12-18/h8-14,16-17,19,33H,15H2,1-7H3/b14-13+ |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C31H34O6 |
|---|
| Average Mass | 502.6070 Da |
|---|
| Monoisotopic Mass | 502.23554 Da |
|---|
| IUPAC Name | 8-hydroxy-6-methoxy-2,2,4,4-tetramethyl-9-(2-methylpropyl)-7-[(2E)-3-phenylprop-2-enoyl]-2,3,4,9-tetrahydro-1H-xanthene-1,3-dione |
|---|
| Traditional Name | 8-hydroxy-6-methoxy-2,2,4,4-tetramethyl-9-(2-methylpropyl)-7-[(2E)-3-phenylprop-2-enoyl]-9H-xanthene-1,3-dione |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | COC1=CC2=C(C(CC(C)C)C3=C(O2)C(C)(C)C(=O)C(C)(C)C3=O)C(O)=C1C(=O)\C=C\C1=CC=CC=C1 |
|---|
| InChI Identifier | InChI=1/C31H34O6/c1-17(2)15-19-23-22(37-28-24(19)27(34)30(3,4)29(35)31(28,5)6)16-21(36-7)25(26(23)33)20(32)14-13-18-11-9-8-10-12-18/h8-14,16-17,19,33H,15H2,1-7H3/b14-13+ |
|---|
| InChI Key | RTXMDMVNPDVCIK-BUHFOSPRNA-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) | 656155668@qq.com | JNU | HUANG QIAN | 2025-03-06 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 656155668@qq.com | JNU | HUANG QIAN | 2025-03-06 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 656155668@qq.com | JNU | HUANG QIAN | 2025-03-06 | View Spectrum | | DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | 656155668@qq.com | JNU | HUANG QIAN | 2025-03-06 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 656155668@qq.com | JNU | HUANG QIAN | 2025-03-06 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | 656155668@qq.com | JNU | HUANG QIAN | 2025-03-06 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | 656155668@qq.com | JNU | HUANG QIAN | 2025-03-06 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400.13 MHz, CDCl3, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | 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, 400.13, CDCl3, simulated) | 656155668@qq.com | JNU | HUANG QIAN | 2025-03-06 | View Spectrum |
| | 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 | |
|---|