Record Information |
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Version | 1.0 |
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Created at | 2024-01-24 04:19:45 UTC |
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Updated at | 2024-05-14 23:06:48 UTC |
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NP-MRD ID | NP0332431 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Hymenotamayonin J |
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Description | Not Available |
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Structure | [H][C@]1(O)C[C@@]23C(=O)[C@@](CC=C(C)C)(CC[C@@]2([H])C2=CC(O)=C(OC)C(CC=C(C)C)=C2)C(=O)C=C3OC1(C)C InChI=1S/C31H40O6/c1-18(2)8-9-20-14-21(15-23(32)27(20)36-7)22-11-13-30(12-10-19(3)4)24(33)16-26-31(22,28(30)35)17-25(34)29(5,6)37-26/h8,10,14-16,22,25,32,34H,9,11-13,17H2,1-7H3/t22-,25-,30-,31+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C31H40O6 |
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Average Mass | 508.6550 Da |
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Monoisotopic Mass | 508.28249 Da |
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IUPAC Name | (1R,3S,9R,12S)-3-hydroxy-12-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-4,4-dimethyl-9-(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0^{1,6}]tridec-6-ene-8,13-dione |
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Traditional Name | (1R,3S,9R,12S)-3-hydroxy-12-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-4,4-dimethyl-9-(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0^{1,6}]tridec-6-ene-8,13-dione |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]1(O)C[C@@]23C(=O)[C@@](CC=C(C)C)(CC[C@@]2([H])C2=CC(O)=C(OC)C(CC=C(C)C)=C2)C(=O)C=C3OC1(C)C |
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InChI Identifier | InChI=1S/C31H40O6/c1-18(2)8-9-20-14-21(15-23(32)27(20)36-7)22-11-13-30(12-10-19(3)4)24(33)16-26-31(22,28(30)35)17-25(34)29(5,6)37-26/h8,10,14-16,22,25,32,34H,9,11-13,17H2,1-7H3/t22-,25-,30-,31+/m0/s1 |
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InChI Key | HXAODUDISTZHNU-USWVPUSVSA-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, CDCl3, experimental) | luis.guerrero@unige.ch | Not Available | Not Available | 2024-01-24 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | luis.guerrero@unige.ch | Not Available | Not Available | 2024-01-24 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | luis.guerrero@unige.ch | Not Available | Not Available | 2024-01-24 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | luis.guerrero@unige.ch | Not Available | Not Available | 2024-01-24 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | luis.guerrero@unige.ch | Not Available | Not Available | 2024-01-24 | View Spectrum | ROESY 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, CDCl3, 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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