Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:37:44 UTC |
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Updated at | 2021-06-30 00:18:39 UTC |
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NP-MRD ID | NP0043137 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | triptersinine G |
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Provided By | JEOL Database |
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Description | Triptersinin G belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. triptersinine G is found in Tripterygium wilfordii. It was first documented in 2021 (PMID: 34130340). Based on a literature review a significant number of articles have been published on Triptersinin G (PMID: 34130330) (PMID: 34130328) (PMID: 34130324) (PMID: 34130322) (PMID: 34130276) (PMID: 34130162). |
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Structure | [H]O[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2(C([H])([H])OC(=O)C([H])([H])[H])[C@]([H])(OC(=O)C3=C([H])OC([H])=C3[H])[C@]([H])(OC(=O)C3=C([H])N=C([H])C([H])=C3[H])[C@]3([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]12OC3(C([H])([H])[H])C([H])([H])[H] InChI=1S/C32H37NO13/c1-17(34)41-16-31-22(42-18(2)35)9-11-30(6,39)32(31)25(43-19(3)36)23(29(4,5)46-32)24(44-27(37)20-8-7-12-33-14-20)26(31)45-28(38)21-10-13-40-15-21/h7-8,10,12-15,22-26,39H,9,11,16H2,1-6H3/t22-,23+,24+,25+,26+,30-,31-,32-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C32H37NO13 |
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Average Mass | 643.6420 Da |
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Monoisotopic Mass | 643.22649 Da |
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IUPAC Name | (1S,2S,5S,6S,7S,8R,9R,12R)-5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-8-yl pyridine-3-carboxylate |
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Traditional Name | (1S,2S,5S,6S,7S,8R,9R,12R)-5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-8-yl pyridine-3-carboxylate |
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CAS Registry Number | Not Available |
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SMILES | [H]O[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2(C([H])([H])OC(=O)C([H])([H])[H])[C@]([H])(OC(=O)C3=C([H])OC([H])=C3[H])[C@]([H])(OC(=O)C3=C([H])N=C([H])C([H])=C3[H])[C@]3([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]12OC3(C([H])([H])[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C32H37NO13/c1-17(34)41-16-31-22(42-18(2)35)9-11-30(6,39)32(31)25(43-19(3)36)23(29(4,5)46-32)24(44-27(37)20-8-7-12-33-14-20)26(31)45-28(38)21-10-13-40-15-21/h7-8,10,12-15,22-26,39H,9,11,16H2,1-6H3/t22-,23+,24+,25+,26+,30-,31-,32-/m0/s1 |
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InChI Key | KXWAUJOSCJAHAC-OWFKIMCMSA-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, 600 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 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, 600 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, 500 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 | 13C NMR Spectrum (1D, 100 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, CDCl3, 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 pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Pentacarboxylic acids and derivatives |
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Direct Parent | Pentacarboxylic acids and derivatives |
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Alternative Parents | |
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Substituents | - Pentacarboxylic acid or derivatives
- Agarofuran
- Sesquiterpenoid
- Furoic acid ester
- Pyridine carboxylic acid
- Pyridine carboxylic acid or derivatives
- Furoic acid or derivatives
- Furan-3-carboxylic acid ester
- Furan-3-carboxylic acid or derivatives
- Oxepane
- Pyridine
- Cyclic alcohol
- Furan
- Heteroaromatic compound
- Tertiary alcohol
- Tetrahydrofuran
- Carboxylic acid ester
- Ether
- Dialkyl ether
- Oxacycle
- Organoheterocyclic compound
- Azacycle
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- Organic nitrogen compound
- Carbonyl group
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic 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 | - Favaloro EJ, Henry BM, Lippi G: COVID-19 and Antiphospholipid Antibodies: Time for a Reality Check? Semin Thromb Hemost. 2021 Jun 15. doi: 10.1055/s-0041-1728832. [PubMed:34130340 ]
- Staubach P, Koch AK, Langhorst J, Schreiber S, Rocken C, Helwig U: Expression of the fructose transporter GLUT5 in patients with fructose malabsorption. Z Gastroenterol. 2021 Jun;59(6):531-539. doi: 10.1055/a-1156-4386. Epub 2021 Jun 15. [PubMed:34130330 ]
- Rohe AM, Kostev K, Sesterhenn AM: [Impact of the COVID-19 pandemic on consultations and diagnosis in ENT practices in Germany]. Laryngorhinootologie. 2021 Jun 15. doi: 10.1055/a-1510-9686. [PubMed:34130328 ]
- Vogelbacher LC, Thimme R: [Unusual cause of a PCT-elevation]. Dtsch Med Wochenschr. 2021 Jun;146(12):818-820. doi: 10.1055/a-1442-5519. Epub 2021 Jun 15. [PubMed:34130324 ]
- Schnabel RB, Hausler KG: [Cardiac diagnostics after ischemic stroke or transitory ischemic attack]. Dtsch Med Wochenschr. 2021 Jun;146(12):801-808. doi: 10.1055/a-1221-7095. Epub 2021 Jun 15. [PubMed:34130322 ]
- Malho Guedes A, Marques R, Domingos AT, Silva AP, Bernardo I, Neves PL, Rodrigues A, Krediet RT: Overhydration May Be the Missing Link between Peritoneal Protein Clearance and Mortality. Nephron. 2021 Jun 15:1-7. doi: 10.1159/000516531. [PubMed:34130276 ]
- Zhang W, Ou J, Wang B, Wang H, He Q, Song J, Zhang H, Tang M, Zhou L, Gao Y, Sun S: Efficient heavy metal removal from water by alginate-based porous nanocomposite hydrogels: The enhanced removal mechanism and influencing factor insight. J Hazard Mater. 2021 Jun 8;418:126358. doi: 10.1016/j.jhazmat.2021.126358. [PubMed:34130162 ]
- Picard LP, Prosser RS: Advances in the study of GPCRs by (19)F NMR. Curr Opin Struct Biol. 2021 Jun 12;69:169-176. doi: 10.1016/j.sbi.2021.05.001. [PubMed:34130235 ]
- Jiang Y, Zhang Y, Cao M, Li J, Wu M, Zhang H, Zheng S, Liu H, Yang M: Combining 'grafting to' and 'grafting from' to synthesize comb-like NCC-g-PLA as a macromolecular modifying agent of PLA. Nanotechnology. 2021 Jul 2;32(38). doi: 10.1088/1361-6528/ac0b63. [PubMed:34130270 ]
- Islam MT, Quispe C, Islam MA, Ali ES, Saha S, Asha UH, Mondal M, Razis AFA, Sunusi U, Kamal RM, Kumar M, Sharifi-Rad J: Effects of nerol on paracetamol-induced liver damage in Wistar albino rats. Biomed Pharmacother. 2021 Aug;140:111732. doi: 10.1016/j.biopha.2021.111732. Epub 2021 Jun 12. [PubMed:34130201 ]
- Ji B, Zhang H, Zhou L, Yang J, Zhang K, Yuan X, Ma J, Qian Y: Effect of the rapid increase of salinity on anoxic-oxic biofilm reactor for treatment of high-salt and high-ammonia-nitrogen wastewater. Bioresour Technol. 2021 Oct;337:125363. doi: 10.1016/j.biortech.2021.125363. Epub 2021 Jun 4. [PubMed:34130233 ]
- Nie D, Yao L, Xu X, Zhang Z, Li Y: Promoting corn stover degradation via sequential processing of steam explosion and cellulase/lactic acid bacteria-assisted ensilage. Bioresour Technol. 2021 Oct;337:125392. doi: 10.1016/j.biortech.2021.125392. Epub 2021 Jun 10. [PubMed:34130232 ]
- Mohamed MA, Teumer KK, Leone M, Akram N, Rahamn MH, Abdelatif D, Condie K: Cue-Based Feeding as Intervention to Achieve Full Oral Feeding in Preterm Infants Primarily Managed with Bubble CPAP. Am J Perinatol. 2021 Jun 15. doi: 10.1055/s-0041-1731046. [PubMed:34130317 ]
- Lu H, Ni J, Yang Q, Qiu S, Lin Q, Liu J, Tu J, Ning X, Wang J: Alcohol Consumption and Stroke Risk in Men: A Population-Based Cohort Study in Rural Tianjin, China. Neuroepidemiology. 2021;55(4):266-274. doi: 10.1159/000515036. Epub 2021 Jun 15. [PubMed:34130285 ]
- Xu ZM, Wang JF, Li WL, Wang YF, He T, Wang FP, Lu ZY, Li QS: Nitrogen fertilizer affects rhizosphere Cd re-mobilization by mediating gene AmALM2 and AmALMT7 expression in edible amaranth roots. J Hazard Mater. 2021 Sep 15;418:126310. doi: 10.1016/j.jhazmat.2021.126310. Epub 2021 Jun 6. [PubMed:34130167 ]
- Wang, C., et al. (2013). Wang, C., et al, J. Nat. Prod. 76, 85 (2013). J. Nat. Prod..
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