Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-08 10:24:38 UTC |
---|
Updated at | 2022-09-08 10:24:38 UTC |
---|
NP-MRD ID | NP0266163 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (1ar,7r,7ar)-4-amino-1,1,7,7a-tetramethyl-1ah,6h,7h,7bh-cyclopropa[a]naphthalene-2,3,5-trione |
---|
Description | Lepidamine belongs to the class of organic compounds known as aristolane sesquiterpenoids. These are sesquiterpenoids with a structure based on the aristolane skeleton. Aristolanes arise from the C6,C11 cyclization of the bicyclic eremophilane skeleton. (1ar,7r,7ar)-4-amino-1,1,7,7a-tetramethyl-1ah,6h,7h,7bh-cyclopropa[a]naphthalene-2,3,5-trione is found in Russula rosea. Based on a literature review very few articles have been published on Lepidamine. |
---|
Structure | C[C@@H]1CC(=O)C(N)=C2C(=O)C(=O)[C@@H]3C(C3(C)C)[C@@]12C InChI=1S/C15H19NO3/c1-6-5-7(17)10(16)8-11(18)12(19)9-13(14(9,2)3)15(6,8)4/h6,9,13H,5,16H2,1-4H3/t6-,9-,13?,15+/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C15H19NO3 |
---|
Average Mass | 261.3210 Da |
---|
Monoisotopic Mass | 261.13649 Da |
---|
IUPAC Name | (1aR,7R,7aR)-4-amino-1,1,7,7a-tetramethyl-1H,1aH,2H,3H,5H,6H,7H,7aH,7bH-cyclopropa[a]naphthalene-2,3,5-trione |
---|
Traditional Name | (1aR,7R,7aR)-4-amino-1,1,7,7a-tetramethyl-1aH,6H,7H,7bH-cyclopropa[a]naphthalene-2,3,5-trione |
---|
CAS Registry Number | Not Available |
---|
SMILES | C[C@@H]1CC(=O)C(N)=C2C(=O)C(=O)[C@@H]3C(C3(C)C)[C@@]12C |
---|
InChI Identifier | InChI=1S/C15H19NO3/c1-6-5-7(17)10(16)8-11(18)12(19)9-13(14(9,2)3)15(6,8)4/h6,9,13H,5,16H2,1-4H3/t6-,9-,13?,15+/m1/s1 |
---|
InChI Key | CLFDZWJTRTXHNV-KELKEKLDSA-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 aristolane sesquiterpenoids. These are sesquiterpenoids with a structure based on the aristolane skeleton. Aristolanes arise from the C6,C11 cyclization of the bicyclic eremophilane skeleton. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Sesquiterpenoids |
---|
Direct Parent | Aristolane sesquiterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Aristolane sesquiterpenoid
- Cyclohexenone
- Vinylogous amide
- Ketone
- Cyclic ketone
- Enamine
- Hydrocarbon derivative
- Organic oxygen compound
- Organic nitrogen compound
- Amine
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Carbonyl group
- Organopnictogen compound
- Organic oxide
- Aliphatic homopolycyclic compound
|
---|
Molecular Framework | Aliphatic homopolycyclic 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 | |
---|