Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 15:27:15 UTC |
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Updated at | 2022-09-12 15:27:16 UTC |
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NP-MRD ID | NP0330271 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1r,4s,5r,9s,10s,12r,13r,14s,16s)-16-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.0¹,¹⁰.0⁴,⁹.0¹²,¹⁴]hexadecane-5-carboxylic acid |
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Description | (1r,4s,5r,9s,10s,12r,13r,14s,16s)-16-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.0¹,¹⁰.0⁴,⁹.0¹²,¹⁴]hexadecane-5-carboxylic acid is found in Xylopia aethiopica. It was first documented in 2022 (PMID: 36130802). Based on a literature review a significant number of articles have been published on 15beta-Hydroxytrachyloban-18-oic acid (PMID: 36130727) (PMID: 36130686) (PMID: 36130683) (PMID: 36130682). |
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Structure | C[C@]12[C@H]3C[C@@]4(CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(O)=O)[C@@H]4C[C@@H]13)[C@@H]2O InChI=1S/C20H30O3/c1-17-6-4-7-18(2,16(22)23)13(17)5-8-20-10-12-11(9-14(17)20)19(12,3)15(20)21/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12+,13+,14+,15-,17-,18-,19-,20-/m1/s1 |
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Synonyms | Value | Source |
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15b-Hydroxytrachyloban-18-Oate | Generator | 15b-Hydroxytrachyloban-18-Oic acid | Generator | 15beta-Hydroxytrachyloban-18-Oate | Generator | 15Β-hydroxytrachyloban-18-Oate | Generator | 15Β-hydroxytrachyloban-18-Oic acid | Generator |
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Chemical Formula | C20H30O3 |
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Average Mass | 318.4570 Da |
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Monoisotopic Mass | 318.21949 Da |
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IUPAC Name | (1R,4S,5R,9S,10S,12R,13R,14S,16S)-16-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.0^{1,10}.0^{4,9}.0^{12,14}]hexadecane-5-carboxylic acid |
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Traditional Name | (1R,4S,5R,9S,10S,12R,13R,14S,16S)-16-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.0^{1,10}.0^{4,9}.0^{12,14}]hexadecane-5-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | C[C@]12[C@H]3C[C@@]4(CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(O)=O)[C@@H]4C[C@@H]13)[C@@H]2O |
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InChI Identifier | InChI=1S/C20H30O3/c1-17-6-4-7-18(2,16(22)23)13(17)5-8-20-10-12-11(9-14(17)20)19(12,3)15(20)21/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12+,13+,14+,15-,17-,18-,19-,20-/m1/s1 |
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InChI Key | MHVNHDYWKUKRRJ-UXFRUBCJSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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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 |
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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 | - Ahmad A, Ghufran R: Microbial granules on reactors performance during organic butyrate digestion: clean production. Crit Rev Biotechnol. 2022 Sep 21:1-21. doi: 10.1080/07388551.2022.2103641. [PubMed:36130802 ]
- Trimble JS, Crawshaw R, Hardy FJ, Levy CW, Brown MJB, Fuerst DE, Heyes DJ, Obexer R, Green AP: A Designed Photoenzyme for Enantioselective [2+2]-Cycloadditions. Nature. 2022 Sep 21. pii: 10.1038/s41586-022-05335-3. doi: 10.1038/s41586-022-05335-3. [PubMed:36130727 ]
- Balci E, Rosales E, Pazos M, Sofuoglu A, Angeles Sanroman M: Continuous treatment of diethyl hexyl and dibutyl phthalates by fixed-bed reactor: comparison of two esterase bionanocomposites. Bioresour Technol. 2022 Sep 18:127990. doi: 10.1016/j.biortech.2022.127990. [PubMed:36130686 ]
- Fang C, Wu S, Niu C, Hou Q, An X, Wei X, Zhao L, Jiang Y, Liu X, Wan X: Triphasic regulation of ZmMs13 encoding an ABCG transporter is sequentially required for callose dissolution, pollen exine and anther cuticle formation in maize. J Adv Res. 2022 Sep 18. pii: S2090-1232(22)00208-9. doi: 10.1016/j.jare.2022.09.006. [PubMed:36130683 ]
- Santos Correa KC, Moreira AC, Abd El-Raheem Ibrahim AG, Ramos de Jesus HC, Micocci KC, Crizostomo Kock FV, Bueno OC, Venancio T, Henrique-Silva F, Souza DHF: Identification and characterization of a recombinant cysteine peptidase (AsCathL) from leaf-cutting ant Atta sexdens Linnaeus, 1758 (Hymenoptera, Formicidae). Protein Expr Purif. 2022 Sep 18;201:106174. doi: 10.1016/j.pep.2022.106174. [PubMed:36130682 ]
- LOTUS database [Link]
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