Record Information |
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Version | 1.0 |
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Created at | 2021-06-22 17:27:04 UTC |
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Updated at | 2021-06-22 17:27:04 UTC |
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NP-MRD ID | NP0043876 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Fischeriolide D |
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Description | Fischeriolide D belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Fischeriolide D is found in Euphorbia fischeriana. It was first documented in 2016 (PMID: 26702644). Based on a literature review a significant number of articles have been published on Fischeriolide D (PMID: 34153994) (PMID: 34153961) (PMID: 34153834) (PMID: 34153825). |
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Structure | CC1=C2[C@H](OC1=O)[C@H](O)C1=C(CC[C@@H]3C(C)(C)CCC[C@@]13C)[C@@H]2O InChI=1S/C20H28O4/c1-10-13-15(21)11-6-7-12-19(2,3)8-5-9-20(12,4)14(11)16(22)17(13)24-18(10)23/h12,15-17,21-22H,5-9H2,1-4H3/t12-,15+,16-,17+,20-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H28O4 |
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Average Mass | 332.4400 Da |
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Monoisotopic Mass | 332.19876 Da |
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IUPAC Name | (2R,7R,11S,16S,17R)-11,17-dihydroxy-2,6,6,13-tetramethyl-15-oxatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),12-dien-14-one |
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Traditional Name | (2R,7R,11S,16S,17R)-11,17-dihydroxy-2,6,6,13-tetramethyl-15-oxatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),12-dien-14-one |
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CAS Registry Number | Not Available |
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SMILES | CC1=C2[C@H](OC1=O)[C@H](O)C1=C(CC[C@@H]3C(C)(C)CCC[C@@]13C)[C@@H]2O |
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InChI Identifier | InChI=1S/C20H28O4/c1-10-13-15(21)11-6-7-12-19(2,3)8-5-9-20(12,4)14(11)16(22)17(13)24-18(10)23/h12,15-17,21-22H,5-9H2,1-4H3/t12-,15+,16-,17+,20-/m1/s1 |
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InChI Key | ZGBOVQVYKZEUPU-NRKNHTPJSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 125 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 250 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 175 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 225 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Terpene lactones |
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Direct Parent | Diterpene lactones |
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Alternative Parents | |
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Substituents | - Diterpene lactone
- Abietane diterpenoid
- Diterpenoid
- Naphthofuran
- 2-furanone
- Dihydrofuran
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Lactone
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Carbonyl group
- Organic oxygen compound
- Organooxygen compound
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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General References | - Lee JW, Lee C, Jin Q, Jang H, Lee D, Lee HJ, Shin JW, Han SB, Hong JT, Kim Y, Lee MK, Hwang BY: Diterpenoids from the Roots of Euphorbia fischeriana with Inhibitory Effects on Nitric Oxide Production. J Nat Prod. 2016 Jan 22;79(1):126-31. doi: 10.1021/acs.jnatprod.5b00789. Epub 2015 Dec 24. [PubMed:26702644 ]
- Sadowski M, Houghtling C, Srun S, Carlson T, Hedrick J, Porteous A, Gordon K: The Ethylene Oxide Product Test of Sterility: Limitations and Interpretation of Results. Biomed Instrum Technol. 2021 Mar 1;55(s3):45-56. doi: 10.2345/0899-8205-55.s3.45. [PubMed:34153994 ]
- Pankratova AK, Igoshev PA, Irkhin VY: Incommensurate magnetic order in rare earth and transition metal compounds with local moments. J Phys Condens Matter. 2021 Jul 9;33(37). doi: 10.1088/1361-648X/ac0d1a. [PubMed:34153961 ]
- Manfro PH, Belem da Silva CT, Anselmi L, Barros F, Eaton WW, Goncalves H, Murray J, Oliveira IO, Tovo-Rodrigues L, Wehrmeister FC, Menezes AMB, Rohde LA, Kieling C: Depression in a youth population-based sample from Brazil: Prevalence and symptom structure. J Affect Disord. 2021 Sep 1;292:633-641. doi: 10.1016/j.jad.2021.05.073. Epub 2021 Jun 5. [PubMed:34153834 ]
- Le Doux Kamto E, Note OP, Kinyok MJ, Wilhelm A, Mbing JN, Antheaume C, de Theodore Atchade A, Pegnyemb DE, Ndinteh DT, Haddad M, Bonnet SL: Glycosides of polygalacic acid from the stem barks of Piper guineense Schum and Thonn. Carbohydr Res. 2021 Sep;507:108374. doi: 10.1016/j.carres.2021.108374. Epub 2021 Jun 16. [PubMed:34153825 ]
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