Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-12 16:34:57 UTC |
---|
Updated at | 2022-09-12 16:34:58 UTC |
---|
NP-MRD ID | NP0330835 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (1s,16s,17s,18s)-5,7-dioxa-11-azapentacyclo[9.6.1.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]octadeca-2,4(8),9,14-tetraene-16,17-diol |
---|
Description | (1S,16S,17S,18S)-5,7-dioxa-11-azapentacyclo[9.6.1.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]Octadeca-2,4(8),9,14-tetraene-16,17-diol belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. (1s,16s,17s,18s)-5,7-dioxa-11-azapentacyclo[9.6.1.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]octadeca-2,4(8),9,14-tetraene-16,17-diol is found in Lycoris incarnata. Based on a literature review very few articles have been published on (1S,16S,17S,18S)-5,7-dioxa-11-azapentacyclo[9.6.1.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]Octadeca-2,4(8),9,14-tetraene-16,17-diol. |
---|
Structure | O[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)C1=CC2=C(OCO2)C=C31 InChI=1S/C15H15NO4/c17-10-3-7-1-2-16-9-5-12-11(19-6-20-12)4-8(9)13(14(7)16)15(10)18/h3-5,10,13-15,17-18H,1-2,6H2/t10-,13-,14+,15+/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C15H15NO4 |
---|
Average Mass | 273.2880 Da |
---|
Monoisotopic Mass | 273.10011 Da |
---|
IUPAC Name | (1S,16S,17S,18S)-5,7-dioxa-11-azapentacyclo[9.6.1.0^{2,10}.0^{4,8}.0^{14,18}]octadeca-2,4(8),9,14-tetraene-16,17-diol |
---|
Traditional Name | (1S,16S,17S,18S)-5,7-dioxa-11-azapentacyclo[9.6.1.0^{2,10}.0^{4,8}.0^{14,18}]octadeca-2,4(8),9,14-tetraene-16,17-diol |
---|
CAS Registry Number | Not Available |
---|
SMILES | O[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)C1=CC2=C(OCO2)C=C31 |
---|
InChI Identifier | InChI=1S/C15H15NO4/c17-10-3-7-1-2-16-9-5-12-11(19-6-20-12)4-8(9)13(14(7)16)15(10)18/h3-5,10,13-15,17-18H,1-2,6H2/t10-,13-,14+,15+/m0/s1 |
---|
InChI Key | KQAOMBGKIWRWNA-BSLXNSKLSA-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 | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Indoles and derivatives |
---|
Sub Class | Carbazoles |
---|
Direct Parent | Carbazoles |
---|
Alternative Parents | |
---|
Substituents | - Carbazole
- Benzodioxole
- Tertiary aliphatic/aromatic amine
- Dialkylarylamine
- Aralkylamine
- Benzenoid
- Pyrrolidine
- Tertiary amine
- 1,2-diol
- Secondary alcohol
- Azacycle
- Oxacycle
- Acetal
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Amine
- Alcohol
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
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 | |
---|