| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-28 23:45:19 UTC |
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| Updated at | 2022-04-28 23:45:19 UTC |
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| NP-MRD ID | NP0078709 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (-)-Sarcophytol L |
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| Description | (1R,3aR,10S,12aR)-1,8-dimethyl-4-methylidene-11-(propan-2-yl)-1H,2H,3H,3aH,4H,5H,6H,9H,10H,12aH-cyclopenta[11]annulene-1,10-diol belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (-)-Sarcophytol L is found in Sinularia gibberosa. Based on a literature review very few articles have been published on (1R,3aR,10S,12aR)-1,8-dimethyl-4-methylidene-11-(propan-2-yl)-1H,2H,3H,3aH,4H,5H,6H,9H,10H,12aH-cyclopenta[11]annulene-1,10-diol. |
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| Structure | CC(C)C1=C\[C@@H]2[C@@H](CC[C@@]2(C)O)C(=C)CC\C=C(C)/C[C@@H]\1O InChI=1S/C20H32O2/c1-13(2)17-12-18-16(9-10-20(18,5)22)15(4)8-6-7-14(3)11-19(17)21/h7,12-13,16,18-19,21-22H,4,6,8-11H2,1-3,5H3/b14-7-,17-12+/t16-,18+,19-,20+/m0/s1 |
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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 | (1R,3aR,10S,12aR)-1,8-dimethyl-4-methylidene-11-(propan-2-yl)-1H,2H,3H,3aH,4H,5H,6H,9H,10H,12aH-cyclopenta[11]annulene-1,10-diol |
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| Traditional Name | (1R,3aR,10S,12aR)-11-isopropyl-1,8-dimethyl-4-methylidene-2H,3H,3aH,5H,6H,9H,10H,12aH-cyclopenta[11]annulene-1,10-diol |
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| CAS Registry Number | Not Available |
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| SMILES | CC(C)C1=C\[C@@H]2[C@@H](CC[C@@]2(C)O)C(=C)CC\C=C(C)/C[C@@H]\1O |
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| InChI Identifier | InChI=1S/C20H32O2/c1-13(2)17-12-18-16(9-10-20(18,5)22)15(4)8-6-7-14(3)11-19(17)21/h7,12-13,16,18-19,21-22H,4,6,8-11H2,1-3,5H3/b14-7-,17-12+/t16-,18+,19-,20+/m0/s1 |
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| InChI Key | YMOPJGVZPYEQEV-DJSONJDZSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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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| Description | Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Diterpenoids |
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| Direct Parent | Diterpenoids |
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| Alternative Parents | |
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| Substituents | - Diterpenoid
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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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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