Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-09-09 23:23:54 UTC |
---|
Updated at | 2022-09-09 23:23:55 UTC |
---|
NP-MRD ID | NP0292050 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (1r,2e,4r,6e,10s)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-dien-4-ol |
---|
Description | (1R,4R,6E,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]Undeca-2,6-dien-4-ol belongs to the class of organic compounds known as bicyclogermacrane and isolepidozane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the bicyclogermacrane (3,7,11,11-tetramethylbicyclo[8.1.0]Undecane, 9CI) skeleton or the isolepidozane skeleton. (1r,2e,4r,6e,10s)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-dien-4-ol is found in Rhytisma fulvum. Based on a literature review very few articles have been published on (1R,4R,6E,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]Undeca-2,6-dien-4-ol. |
---|
Structure | C\C1=C/C[C@@H](O)\C(C)=C\[C@@H]2[C@H](CC1)C2(C)C InChI=1S/C15H24O/c1-10-5-7-12-13(15(12,3)4)9-11(2)14(16)8-6-10/h6,9,12-14,16H,5,7-8H2,1-4H3/b10-6+,11-9+/t12-,13+,14+/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C15H24O |
---|
Average Mass | 220.3560 Da |
---|
Monoisotopic Mass | 220.18272 Da |
---|
IUPAC Name | (1R,2E,4R,6E,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-dien-4-ol |
---|
Traditional Name | (1R,2E,4R,6E,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-dien-4-ol |
---|
CAS Registry Number | Not Available |
---|
SMILES | C\C1=C/C[C@@H](O)\C(C)=C\[C@@H]2[C@H](CC1)C2(C)C |
---|
InChI Identifier | InChI=1S/C15H24O/c1-10-5-7-12-13(15(12,3)4)9-11(2)14(16)8-6-10/h6,9,12-14,16H,5,7-8H2,1-4H3/b10-6+,11-9+/t12-,13+,14+/m0/s1 |
---|
InChI Key | AMZJPZQKYICVMX-FNGPIJRTSA-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 bicyclogermacrane and isolepidozane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the bicyclogermacrane (3,7,11,11-tetramethylbicyclo[8.1.0]Undecane, 9CI) skeleton or the isolepidozane skeleton. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Sesquiterpenoids |
---|
Direct Parent | Bicyclogermacrane and isolepidozane sesquiterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Bicyclogermacrane sesquiterpenoid
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- 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 | |
---|