Record Information |
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Version | 1.0 |
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Created at | 2024-01-24 04:28:40 UTC |
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Updated at | 2024-05-14 23:06:52 UTC |
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NP-MRD ID | NP0332432 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Hymenotamayonin E |
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Description | Not Available |
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Structure | [H][C@@]1(C[C@]23CC[C@@]([H])(C4=CC(O)=C(OC)C(CC=C(C)C)=C4)[C@](CC=C(C)C)(C(=O)C=C2O1)C3=O)C(C)=C InChI=1S/C31H38O5/c1-18(2)8-9-21-14-22(15-24(32)28(21)35-7)23-11-12-30-17-25(20(5)6)36-27(30)16-26(33)31(23,29(30)34)13-10-19(3)4/h8,10,14-16,23,25,32H,5,9,11-13,17H2,1-4,6-7H3/t23-,25+,30+,31+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C31H38O5 |
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Average Mass | 490.6400 Da |
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Monoisotopic Mass | 490.27192 Da |
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IUPAC Name | (1R,3R,8R,9S)-9-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-3-(prop-1-en-2-yl)-4-oxatricyclo[6.3.1.0^{1,5}]dodec-5-ene-7,12-dione |
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Traditional Name | (1R,3R,8R,9S)-9-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-3-(prop-1-en-2-yl)-4-oxatricyclo[6.3.1.0^{1,5}]dodec-5-ene-7,12-dione |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]1(C[C@]23CC[C@@]([H])(C4=CC(O)=C(OC)C(CC=C(C)C)=C4)[C@](CC=C(C)C)(C(=O)C=C2O1)C3=O)C(C)=C |
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InChI Identifier | InChI=1S/C31H38O5/c1-18(2)8-9-21-14-22(15-24(32)28(21)35-7)23-11-12-30-17-25(20(5)6)36-27(30)16-26(33)31(23,29(30)34)13-10-19(3)4/h8,10,14-16,23,25,32H,5,9,11-13,17H2,1-4,6-7H3/t23-,25+,30+,31+/m0/s1 |
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InChI Key | NBYLKKTZVKYVKF-GESPZFIPSA-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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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | luis.guerrero@unige.ch | Not Available | Not Available | 2024-01-24 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | luis.guerrero@unige.ch | Not Available | Not Available | 2024-01-24 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | luis.guerrero@unige.ch | Not Available | Not Available | 2024-01-24 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental) | luis.guerrero@unige.ch | Not Available | Not Available | 2024-01-24 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | luis.guerrero@unige.ch | Not Available | Not Available | 2024-01-24 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | luis.guerrero@unige.ch | Not Available | Not Available | 2024-01-24 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | luis.guerrero@unige.ch | Not Available | Not Available | 2024-01-24 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 600, CD3OD, simulated) | luis.guerrero@unige.ch | University of Geneva | Luis Quiros-Guerrero, PhD | 2024-05-14 | View Spectrum |
| 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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