Record Information |
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Version | 1.0 |
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Created at | 2024-01-24 04:45:36 UTC |
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Updated at | 2024-05-14 23:06:49 UTC |
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NP-MRD ID | NP0332436 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Hymenotamayonin B |
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Description | Not Available |
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Structure | [H][C@@]1(CC[C@@]2(CC=C(C)C)C(O)=CC(=O)[C@]1(CC=C(C)C)C2=O)C1=CC(O)=C(O)C(CC=C(C)C)=C1 InChI=1S/C30H38O5/c1-18(2)7-8-21-15-22(16-24(31)27(21)34)23-11-13-29(12-9-19(3)4)25(32)17-26(33)30(23,28(29)35)14-10-20(5)6/h7,9-10,15-17,23,31-32,34H,8,11-14H2,1-6H3/t23-,29+,30-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C30H38O5 |
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Average Mass | 478.6290 Da |
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Monoisotopic Mass | 478.27192 Da |
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IUPAC Name | (1R,5R,8R)-8-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-4-hydroxy-1,5-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione |
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Traditional Name | (1R,5R,8R)-8-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-4-hydroxy-1,5-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]1(CC[C@@]2(CC=C(C)C)C(O)=CC(=O)[C@]1(CC=C(C)C)C2=O)C1=CC(O)=C(O)C(CC=C(C)C)=C1 |
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InChI Identifier | InChI=1S/C30H38O5/c1-18(2)7-8-21-15-22(16-24(31)27(21)34)23-11-13-29(12-9-19(3)4)25(32)17-26(33)30(23,28(29)35)14-10-20(5)6/h7,9-10,15-17,23,31-32,34H,8,11-14H2,1-6H3/t23-,29+,30-/m1/s1 |
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InChI Key | HYXZZTKUORWYRE-GOQOSDJISA-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 | 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 | [13C, ] NMR Spectrum (2D, 151 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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