Record Information |
---|
Version | 1.0 |
---|
Created at | 2023-04-24 20:08:38 UTC |
---|
Updated at | 2023-04-24 20:09:13 UTC |
---|
NP-MRD ID | NP0331603 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | panepocyclinol D |
---|
Description | Not Available |
---|
Structure | [H][C@]12C=C3C(=O)C(Cl)=C[C@H](O)[C@@]3([H])[C@]3([H])[C@@H](O)[C@H](O)[C@@H](O)C(=O)[C@]13[C@@H](OC2(C)C)C=C(C)C InChI=1S/C22H27ClO7/c1-8(2)5-13-22-12(21(3,4)30-13)6-9-14(11(24)7-10(23)16(9)25)15(22)17(26)18(27)19(28)20(22)29/h5-7,11-15,17-19,24,26-28H,1-4H3/t11-,12+,13-,14-,15+,17+,18-,19+,22-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C22H27ClO7 |
---|
Average Mass | 438.9000 Da |
---|
Monoisotopic Mass | 438.14453 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H][C@]12C=C3C(=O)C(Cl)=C[C@H](O)[C@@]3([H])[C@]3([H])[C@@H](O)[C@H](O)[C@@H](O)C(=O)[C@]13[C@@H](OC2(C)C)C=C(C)C |
---|
InChI Identifier | InChI=1S/C22H27ClO7/c1-8(2)5-13-22-12(21(3,4)30-13)6-9-14(11(24)7-10(23)16(9)25)15(22)17(26)18(27)19(28)20(22)29/h5-7,11-15,17-19,24,26-28H,1-4H3/t11-,12+,13-,14-,15+,17+,18-,19+,22-/m0/s1 |
---|
InChI Key | QKCGOIJIWLIAQG-JXJMDNMPSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | 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 | |
---|