| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2022-09-05 17:27:03 UTC |
|---|
| Updated at | 2022-09-05 17:27:03 UTC |
|---|
| NP-MRD ID | NP0217184 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | (3z,5e,15e,24z)-20-[(1z)-but-1-en-1-yl]-17,18-dihydroxy-9-methoxy-3,6,19,24-tetramethyl-7-methylidene-21,26-dioxa-16-azabicyclo[13.10.3]octacosa-3,5,15(28),16,24-pentaene-22,27-dione |
|---|
| Description | Not Available |
|---|
| Structure | CC\C=C/C1OC(=O)C\C(C)=C/C2C\C(C)=C/C=C(C)\C(=C)CC(CCCCCC(=CC(=O)O2)N=C(O)C(O)C1C)OC InChI=1S/C35H51NO7/c1-8-9-15-31-27(6)34(39)35(40)36-28-13-11-10-12-14-29(41-7)21-26(5)25(4)17-16-23(2)18-30(42-33(38)22-28)19-24(3)20-32(37)43-31/h9,15-17,19,22,27,29-31,34,39H,5,8,10-14,18,20-21H2,1-4,6-7H3,(H,36,40)/b15-9-,23-16-,24-19-,25-17-,28-22- |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C35H51NO7 |
|---|
| Average Mass | 597.7930 Da |
|---|
| Monoisotopic Mass | 597.36655 Da |
|---|
| IUPAC Name | (3Z,5E,15E,24Z)-20-[(1Z)-but-1-en-1-yl]-17,18-dihydroxy-9-methoxy-3,6,19,24-tetramethyl-7-methylidene-21,26-dioxa-16-azabicyclo[13.10.3]octacosa-3,5,15(28),16,24-pentaene-22,27-dione |
|---|
| Traditional Name | (3Z,5E,15E,24Z)-20-[(1Z)-but-1-en-1-yl]-17,18-dihydroxy-9-methoxy-3,6,19,24-tetramethyl-7-methylidene-21,26-dioxa-16-azabicyclo[13.10.3]octacosa-3,5,15(28),16,24-pentaene-22,27-dione |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CC\C=C/C1OC(=O)C\C(C)=C/C2C\C(C)=C/C=C(C)\C(=C)CC(CCCCCC(=CC(=O)O2)N=C(O)C(O)C1C)OC |
|---|
| InChI Identifier | InChI=1S/C35H51NO7/c1-8-9-15-31-27(6)34(39)35(40)36-28-13-11-10-12-14-29(41-7)21-26(5)25(4)17-16-23(2)18-30(42-33(38)22-28)19-24(3)20-32(37)43-31/h9,15-17,19,22,27,29-31,34,39H,5,8,10-14,18,20-21H2,1-4,6-7H3,(H,36,40)/b15-9-,23-16-,24-19-,25-17-,28-22- |
|---|
| InChI Key | SHTTVDQQBMSJEW-MMUWPILZSA-N |
|---|
| Experimental Spectra |
|---|
|
| Not Available | | Predicted Spectra |
|---|
|
| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
|---|
| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | 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 | |
|---|