Record Information |
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Version | 1.0 |
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Created at | 2021-06-19 17:33:10 UTC |
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Updated at | 2021-06-29 23:50:22 UTC |
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NP-MRD ID | NP0025419 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Pachyclavulariaenone A |
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Provided By | JEOL Database |
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Description | Pachyclavulariaenone A is found in Briareum violaceum and Pachyclavularia violacea. It was first documented in 2021 (PMID: 34352962). Based on a literature review very few articles have been published on Pachyclavulariaenone A (PMID: 34352961) (PMID: 34352960) (PMID: 34352959) (PMID: 34352958) (PMID: 34352957) (PMID: 34352956). |
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Structure | [H]C1=C(C([H])([H])[H])[C@@]2([H])[C@@]3([H])O[C@@]4([H])[C@@]2([H])[C@]([H])(C1=O)[C@@]([H])(C([H])([H])[H])C([H])([H])O[C@@]4(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])\C([H])=C(C([H])([H])[H])/C3([H])[H] InChI=1S/C24H34O5/c1-6-7-19(26)29-18-9-8-13(2)10-17-21-14(3)11-16(25)20-15(4)12-27-24(18,5)23(28-17)22(20)21/h8,11,15,17-18,20-23H,6-7,9-10,12H2,1-5H3/b13-8-/t15-,17-,18+,20-,21-,22-,23-,24-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C24H34O5 |
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Average Mass | 402.5310 Da |
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Monoisotopic Mass | 402.24062 Da |
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IUPAC Name | (1S,2R,3S,7R,8R,11S,12R,14Z,17S)-4,8,11,15-tetramethyl-6-oxo-10,18-dioxatetracyclo[9.7.0.0^{2,7}.0^{3,17}]octadeca-4,14-dien-12-yl butanoate |
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Traditional Name | (1S,2R,3S,7R,8R,11S,12R,14Z,17S)-4,8,11,15-tetramethyl-6-oxo-10,18-dioxatetracyclo[9.7.0.0^{2,7}.0^{3,17}]octadeca-4,14-dien-12-yl butanoate |
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CAS Registry Number | Not Available |
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SMILES | [H]C1=C(C([H])([H])[H])[C@@]2([H])[C@@]3([H])O[C@@]4([H])[C@@]2([H])[C@]([H])(C1=O)[C@@]([H])(C([H])([H])[H])C([H])([H])O[C@@]4(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])\C([H])=C(C([H])([H])[H])/C3([H])[H] |
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InChI Identifier | InChI=1S/C24H34O5/c1-6-7-19(26)29-18-9-8-13(2)10-17-21-14(3)11-16(25)20-15(4)12-27-24(18,5)23(28-17)22(20)21/h8,11,15,17-18,20-23H,6-7,9-10,12H2,1-5H3/b13-8-/t15-,17-,18+,20-,21-,22-,23-,24-/m0/s1 |
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InChI Key | OHZHMWYSORYJOB-NKEHCZCYSA-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, 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, 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, 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, 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, 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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Classification | Not classified |
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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 | - Velazquez-Mujica J, Losco L, Aksoyler D, Chen HC: Perforator-to-perforator anastomosis as a salvage procedure during harvest of a perforator flap. Arch Plast Surg. 2021 Jul;48(4):467-469. doi: 10.5999/aps.2020.02194. Epub 2021 Jul 15. [PubMed:34352962 ]
- Santamaria E, Nahas-Combina L, Altamirano-Arcos C, Vargas-Flores E: Seven steps to deliver a low-cost, efficient, and high-impact online plastic surgery course during COVID-19 confinement: master series microsurgery for residents' experience. Arch Plast Surg. 2021 Jul;48(4):462-466. doi: 10.5999/aps.2021.00360. Epub 2021 Jul 15. [PubMed:34352961 ]
- Marchesi A, Garieri P, Amendola F, Marcelli S, Vaienti L: Intraoperative near-infrared spectroscopy for pedicled perforator flaps: a possible tool for the early detection of vascular issues. Arch Plast Surg. 2021 Jul;48(4):457-461. doi: 10.5999/aps.2019.00311. Epub 2021 Jul 15. [PubMed:34352960 ]
- Oh D, Son D, Kim J, Kwon SY: Freeze-dried bovine amniotic membrane as a cell delivery scaffold in a porcine model of radiation-induced chronic wounds. Arch Plast Surg. 2021 Jul;48(4):448-456. doi: 10.5999/aps.2020.00997. Epub 2021 Jul 15. [PubMed:34352959 ]
- Takaya K, Matsuda N, Asou T, Kishi K: Brown preadipocyte transplantation locally ameliorates obesity. Arch Plast Surg. 2021 Jul;48(4):440-447. doi: 10.5999/aps.2020.02257. Epub 2021 Jul 15. [PubMed:34352958 ]
- Saricilar EC, Huang S: Comparison of porcine and human acellular dermal matrix outcomes in wound healing: a deep dive into the evidence. Arch Plast Surg. 2021 Jul;48(4):433-439. doi: 10.5999/aps.2020.02306. Epub 2021 Jul 15. [PubMed:34352957 ]
- Will PA, Hirche C, Berner JE, Kneser U, Gazyakan E: Lymphovenous anastomoses with three-dimensional digital hybrid visualization: improving ergonomics for supermicrosurgery in lymphedema. Arch Plast Surg. 2021 Jul;48(4):427-432. doi: 10.5999/aps.2020.01949. Epub 2021 Jul 15. [PubMed:34352956 ]
- Vathulya M, Dhingra M, Nongdamba H, Chattopadhyay D, Kapoor A, Dhingra VK, Mago V, Kandwal P: Evaluation of pedicled flaps for type IIIB open fractures of the tibia at a tertiary care center. Arch Plast Surg. 2021 Jul;48(4):417-426. doi: 10.5999/aps.2020.02089. Epub 2021 Jul 15. [PubMed:34352955 ]
- Beecher SM, Cahill KC, Theopold C: Pedicled sural flaps versus free anterolateral thigh flaps in reconstruction of dorsal foot and ankle defects in children: a systematic review. Arch Plast Surg. 2021 Jul;48(4):410-416. doi: 10.5999/aps.2020.00983. Epub 2021 Jul 15. [PubMed:34352954 ]
- Nicksic PJ, Condit KM, Nayar HS, Michelotti BF: Algorithmic approach to the lymphatic leak after vascular reconstruction: a systematic review. Arch Plast Surg. 2021 Jul;48(4):404-409. doi: 10.5999/aps.2020.02075. Epub 2021 Jul 15. [PubMed:34352953 ]
- Wang, G.-H., et al. (2001). Wang, G.-H., et al, Tetrahedron Letts. 42, 2333 (2001). Tetrahedron Lett.
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