Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-09-12 03:05:25 UTC |
---|
Updated at | 2022-09-12 03:05:26 UTC |
---|
NP-MRD ID | NP0323574 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (2s)-2-[(1s,4s,5r,8r)-8-hydroperoxy-4,8-dimethylspiro[4.5]dec-6-en-1-yl]propane-1,2-diol |
---|
Description | Cordycepol C belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). (2s)-2-[(1s,4s,5r,8r)-8-hydroperoxy-4,8-dimethylspiro[4.5]dec-6-en-1-yl]propane-1,2-diol is found in Tolypocladium ophioglossoides. It was first documented in 2014 (PMID: 24694607). Based on a literature review very few articles have been published on Cordycepol C. |
---|
Structure | C[C@H]1CC[C@H]([C@](C)(O)CO)[C@]11CC[C@@](C)(OO)C=C1 InChI=1S/C15H26O4/c1-11-4-5-12(14(3,17)10-16)15(11)8-6-13(2,19-18)7-9-15/h6,8,11-12,16-18H,4-5,7,9-10H2,1-3H3/t11-,12+,13-,14+,15+/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C15H26O4 |
---|
Average Mass | 270.3690 Da |
---|
Monoisotopic Mass | 270.18311 Da |
---|
IUPAC Name | (2S)-2-[(1S,4S,5R,8R)-8-hydroperoxy-4,8-dimethylspiro[4.5]dec-6-en-1-yl]propane-1,2-diol |
---|
Traditional Name | (2S)-2-[(1S,4S,5R,8R)-8-hydroperoxy-4,8-dimethylspiro[4.5]dec-6-en-1-yl]propane-1,2-diol |
---|
CAS Registry Number | Not Available |
---|
SMILES | C[C@H]1CC[C@H]([C@](C)(O)CO)[C@]11CC[C@@](C)(OO)C=C1 |
---|
InChI Identifier | InChI=1S/C15H26O4/c1-11-4-5-12(14(3,17)10-16)15(11)8-6-13(2,19-18)7-9-15/h6,8,11-12,16-18H,4-5,7,9-10H2,1-3H3/t11-,12+,13-,14+,15+/m0/s1 |
---|
InChI Key | CGAGMAHEIWCVNP-XPABHHOTSA-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 tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Alcohols and polyols |
---|
Direct Parent | Tertiary alcohols |
---|
Alternative Parents | |
---|
Substituents | - Tertiary alcohol
- Hydroperoxide
- 1,2-diol
- Alkyl hydroperoxide
- Peroxol
- Hydrocarbon derivative
- Primary 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 | |
---|