Record Information |
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Version | 1.0 |
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Created at | 2023-06-08 16:06:00 UTC |
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Updated at | 2024-04-19 09:48:27 UTC |
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NP-MRD ID | NP0331673 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 3-hydroxyolean-12-en-27-oic acid |
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Description | It was first documented in 2023 (PMID: 37288650). Based on a literature review a significant number of articles have been published on (4aR,6aR,6bR,10S,12aR)-10-hydroxy-2,2,4a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylic acid (PMID: 37288649) (PMID: 37288648) (PMID: 37288647) (PMID: 37288646) (PMID: 37288645) (PMID: 37288644). |
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Structure | CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1 InChI=1S/C30H48O3/c1-25(2)14-15-27(5)16-17-30(24(32)33)19(20(27)18-25)8-9-22-28(6)12-11-23(31)26(3,4)21(28)10-13-29(22,30)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20?,21?,22?,23-,27+,28-,29+,30+/m0/s1 |
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Synonyms | Value | Source |
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(4AR,6ar,6BR,10S,12ar)-10-hydroxy-2,2,4a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylate | Generator |
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Chemical Formula | C30H48O3 |
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Average Mass | 456.7110 Da |
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Monoisotopic Mass | 456.36035 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1 |
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InChI Identifier | InChI=1S/C30H48O3/c1-25(2)14-15-27(5)16-17-30(24(32)33)19(20(27)18-25)8-9-22-28(6)12-11-23(31)26(3,4)21(28)10-13-29(22,30)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20?,21?,22?,23-,27+,28-,29+,30+/m0/s1 |
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InChI Key | QGOSJBZFTWGWDU-OZMUXJSFSA-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 | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zxliao@seu.edu.cn | Not Available | Not Available | 2023-06-08 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | zxliao@seu.edu.cn | Not Available | Not Available | 2023-06-08 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.917898807 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.133705802 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 | Not Available |
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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 | - Song G, Trujillo S, Fu Y, Shibi F, Chen J, Fass R: Transcutaneous electrical stimulation for gastrointestinal motility disorders. Neurogastroenterol Motil. 2023 Jun 8:e14618. doi: 10.1111/nmo.14618. [PubMed:37288650 ]
- Perry WB: Dining amidst the decibels is not an issue when you have company: anthropogenic noise and the topmouth Gudgeon. J Fish Biol. 2023 Jun;102(6):1271. doi: 10.1111/jfb.15459. [PubMed:37288649 ]
- Pansomsuay R, Duangupama T, Pittayakhajonwut P, Intaraudom C, Suriyachadkun C, He YW, Tanasupawat S, Thawai C: Streptomyces zingiberis sp. nov., an endophytic actinobacterium isolated from the root tissue of Zingiber montanum. Int J Syst Evol Microbiol. 2023 Jun;73(6). doi: 10.1099/ijsem.0.005765. [PubMed:37288648 ]
- Meng W, Qiao K, Liu F, Gao X, Hu X, Liu J, Gao Y, Zhu J: Construction and application of a new CRISPR/Cas12a system in Stenotrophomonas AGS-1 from aerobic granular sludge. Biotechnol J. 2023 Jun 8:e2200596. doi: 10.1002/biot.202200596. [PubMed:37288647 ]
- Rodgers EM, Gomez Isaza DF: The mechanistic basis and adaptive significance of cross-tolerance: a 'pre-adaptation' to a changing world? J Exp Biol. 2023 Jun 1;226(11):jeb245644. doi: 10.1242/jeb.245644. Epub 2023 Jun 8. [PubMed:37288646 ]
- Martin N, Robinson TB, Clusella-Trullas S: Warmer and more acidic conditions enhance performance of an endemic low-shore gastropod. J Exp Biol. 2023 Jun 1;226(11):jeb245423. doi: 10.1242/jeb.245423. Epub 2023 Jun 7. [PubMed:37288645 ]
- Wang H: [Exploration of Centralized Purchasing Management Platform for Research Reagent Supplies Based on One-stop Service]. Zhongguo Yi Liao Qi Xie Za Zhi. 2023 May 30;47(3):351-354. doi: 10.3969/j.issn.1671-7104.2023.03.025. [PubMed:37288644 ]
- Liu B, Gu W: [Research on Life Cycle Management of Medical Consumables Based on Hospital Resource Planning System]. Zhongguo Yi Liao Qi Xie Za Zhi. 2023 May 30;47(3):346-350. doi: 10.3969/j.issn.1671-7104.2023.03.024. [PubMed:37288643 ]
- Dong C, Tang G, Zhou Q: [Research on Management Efficiency of Hospital Low-value Consumables in Nursing Unit under Lean Management Mode]. Zhongguo Yi Liao Qi Xie Za Zhi. 2023 May 30;47(3):341-345. doi: 10.3969/j.issn.1671-7104.2023.03.023. [PubMed:37288642 ]
- Wu L, Zhou R: [Information Construction of Hospital Medical Consumables Management Based on SPD Mode]. Zhongguo Yi Liao Qi Xie Za Zhi. 2023 May 30;47(3):337-340. doi: 10.3969/j.issn.1671-7104.2023.03.022. [PubMed:37288641 ]
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