Record Information |
---|
Version | 1.0 |
---|
Created at | 2023-01-12 04:04:19 UTC |
---|
Updated at | 2024-05-13 01:16:16 UTC |
---|
NP-MRD ID | NP0331431 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Noonindole A |
---|
Description | Not Available |
---|
Structure | [H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)[C@H](C2)OC(=O)[C@H](C(C)C)N(C)C)C(C)(C)O InChI=1S/C34H46N2O6/c1-18(2)27(36(7)8)30(38)42-26-16-19-15-21-20-11-9-10-12-23(20)35-28(21)33(19,6)32(5)14-13-25-22(34(26,32)40)17-24(37)29(41-25)31(3,4)39/h9-12,17-19,25-27,29,35,39-40H,13-16H2,1-8H3/t19-,25+,26+,27+,29+,32-,33-,34+/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C34H46N2O6 |
---|
Average Mass | 578.7500 Da |
---|
Monoisotopic Mass | 578.33559 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)[C@H](C2)OC(=O)[C@H](C(C)C)N(C)C)C(C)(C)O |
---|
InChI Identifier | InChI=1S/C34H46N2O6/c1-18(2)27(36(7)8)30(38)42-26-16-19-15-21-20-11-9-10-12-23(20)35-28(21)33(19,6)32(5)14-13-25-22(34(26,32)40)17-24(37)29(41-25)31(3,4)39/h9-12,17-19,25-27,29,35,39-40H,13-16H2,1-8H3/t19-,25+,26+,27+,29+,32-,33-,34+/m1/s1 |
---|
InChI Key | ULEGBWKPMBYRPR-UCMFMRGPSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
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 | |
---|