Record Information |
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Version | 1.0 |
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Created at | 2024-01-05 04:02:04 UTC |
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Updated at | 2024-09-03 04:18:52 UTC |
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NP-MRD ID | NP0332342 |
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DOI | https://doi.org/10.57994/1544 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 5α,10β-diacetoxy-taxadien-13α-ol |
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Description | Not Available |
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Structure | [H][C@]12C[C@H](O)C(C)=C([C@H](C[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@@]3([H])C1)OC(C)=O)C2(C)C InChI=1S/C24H36O5/c1-13-18-10-17-11-19(27)14(2)22(23(17,5)6)21(29-16(4)26)12-24(18,7)9-8-20(13)28-15(3)25/h17-21,27H,1,8-12H2,2-7H3/t17-,18-,19+,20+,21+,24+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C24H36O5 |
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Average Mass | 404.5470 Da |
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Monoisotopic Mass | 404.25627 Da |
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IUPAC Name | (1R,3S,5S,8S,10S,13S)-5-(acetyloxy)-13-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-10-yl acetate |
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Traditional Name | (1R,3S,5S,8S,10S,13S)-5-(acetyloxy)-13-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-10-yl acetate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12C[C@H](O)C(C)=C([C@H](C[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@@]3([H])C1)OC(C)=O)C2(C)C |
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InChI Identifier | InChI=1S/C24H36O5/c1-13-18-10-17-11-19(27)14(2)22(23(17,5)6)21(29-16(4)26)12-24(18,7)9-8-20(13)28-15(3)25/h17-21,27H,1,8-12H2,2-7H3/t17-,18-,19+,20+,21+,24+/m1/s1 |
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InChI Key | VWGKCSINNGNHND-IAONCWSVSA-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 (2D, 126 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-29 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-29 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-29 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-29 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-29 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 126 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-27 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-27 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-27 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-27 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-27 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-27 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-26 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 126 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-26 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-26 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-26 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-26 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-26 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 126 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | 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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