Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-12-22 12:15:02 UTC |
---|
Updated at | 2024-04-19 09:36:13 UTC |
---|
NP-MRD ID | NP0331303 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Chrysosporazine T |
---|
Description | Not Available |
---|
Structure | [H][C@]1(CC2=CC(OC)=C3OCOC3=C2)CN2C(=O)C3=C(C=CC=C3)[C@]([H])(C3=CC=CC=C3)[C@@]2([H])CN1C(C)=O InChI=1S/C29H28N2O5/c1-18(32)30-16-24-27(20-8-4-3-5-9-20)22-10-6-7-11-23(22)29(33)31(24)15-21(30)12-19-13-25(34-2)28-26(14-19)35-17-36-28/h3-11,13-14,21,24,27H,12,15-17H2,1-2H3/t21-,24+,27-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C29H28N2O5 |
---|
Average Mass | 484.5520 Da |
---|
Monoisotopic Mass | 484.19982 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H][C@]1(CC2=CC(OC)=C3OCOC3=C2)CN2C(=O)C3=C(C=CC=C3)[C@]([H])(C3=CC=CC=C3)[C@@]2([H])CN1C(C)=O |
---|
InChI Identifier | InChI=1S/C29H28N2O5/c1-18(32)30-16-24-27(20-8-4-3-5-9-20)22-10-6-7-11-23(22)29(33)31(24)15-21(30)12-19-13-25(34-2)28-26(14-19)35-17-36-28/h3-11,13-14,21,24,27H,12,15-17H2,1-2H3/t21-,24+,27-/m0/s1 |
---|
InChI Key | FFCKLYKOSDHVEK-WBWMCNGVSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.08 MHz, C2D6OS, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.08 MHz, C2D6OS, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.91 MHz, C2D6OS, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.08 MHz, C2D6OS, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | 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 | |
---|