| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-04 18:06:05 UTC |
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| Updated at | 2022-09-04 18:06:05 UTC |
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| NP-MRD ID | NP0199452 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 3,6,10-trimethyl-2-(3-methylbut-2-en-1-yl)-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-ol |
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| Description | 3,6,10-trimethyl-2-(3-methylbut-2-en-1-yl)-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-ol is found in Eunicea asperula. |
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| Structure | CC1C2CC\C(C)=C/CC\C(C)=C/C2OC1(O)CC=C(C)C InChI=1S/C20H32O2/c1-14(2)11-12-20(21)17(5)18-10-9-15(3)7-6-8-16(4)13-19(18)22-20/h7,11,13,17-19,21H,6,8-10,12H2,1-5H3/b15-7-,16-13- |
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| Synonyms | Not Available |
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| Chemical Formula | C20H32O2 |
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| Average Mass | 304.4740 Da |
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| Monoisotopic Mass | 304.24023 Da |
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| IUPAC Name | 3,6,10-trimethyl-2-(3-methylbut-2-en-1-yl)-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-ol |
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| Traditional Name | 3,6,10-trimethyl-2-(3-methylbut-2-en-1-yl)-3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-ol |
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| CAS Registry Number | Not Available |
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| SMILES | CC1C2CC\C(C)=C/CC\C(C)=C/C2OC1(O)CC=C(C)C |
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| InChI Identifier | InChI=1S/C20H32O2/c1-14(2)11-12-20(21)17(5)18-10-9-15(3)7-6-8-16(4)13-19(18)22-20/h7,11,13,17-19,21H,6,8-10,12H2,1-5H3/b15-7-,16-13- |
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| InChI Key | JUHULAUJCIHUEU-PEQRHACFSA-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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