Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 06:00:44 UTC |
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Updated at | 2022-09-07 06:00:44 UTC |
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NP-MRD ID | NP0245070 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (4s,5r,7r,10s,13r,14s,16s,19s,20s,21r,22r,23r)-7-isopropyl-10,13-dimethyl-6,15,17-trioxaheptacyclo[17.3.1.0⁴,¹³.0⁵,⁷.0⁵,¹⁰.0¹⁴,²².0¹⁶,²¹]tricos-1-ene-19,20,21,23-tetrol |
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Description | (4s,5r,7r,10s,13r,14s,16s,19s,20s,21r,22r,23r)-7-isopropyl-10,13-dimethyl-6,15,17-trioxaheptacyclo[17.3.1.0⁴,¹³.0⁵,⁷.0⁵,¹⁰.0¹⁴,²².0¹⁶,²¹]tricos-1-ene-19,20,21,23-tetrol is found in Hericium erinaceus. |
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Structure | CC(C)[C@]12CC[C@]3(C)CC[C@@]4(C)[C@H]5O[C@@H]6OC[C@]7(O)[C@H](O)C(=CC[C@@H]4[C@]13O2)[C@H]5[C@@]6(O)[C@H]7O InChI=1S/C25H36O7/c1-12(2)23-10-8-20(3)7-9-21(4)14(25(20,23)32-23)6-5-13-15-17(21)31-19-24(15,29)18(27)22(28,11-30-19)16(13)26/h5,12,14-19,26-29H,6-11H2,1-4H3/t14-,15+,16+,17-,18?,19-,20-,21+,22-,23+,24+,25+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C25H36O7 |
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Average Mass | 448.5560 Da |
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Monoisotopic Mass | 448.24610 Da |
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IUPAC Name | (4S,5R,7R,10S,13R,14S,16S,19S,20S,21R,22R,23R)-10,13-dimethyl-7-(propan-2-yl)-6,15,17-trioxaheptacyclo[17.3.1.0^{4,13}.0^{5,7}.0^{5,10}.0^{14,22}.0^{16,21}]tricos-1-ene-19,20,21,23-tetrol |
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Traditional Name | (4S,5R,7R,10S,13R,14S,16S,19S,20S,21R,22R,23R)-7-isopropyl-10,13-dimethyl-6,15,17-trioxaheptacyclo[17.3.1.0^{4,13}.0^{5,7}.0^{5,10}.0^{14,22}.0^{16,21}]tricos-1-ene-19,20,21,23-tetrol |
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CAS Registry Number | Not Available |
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SMILES | CC(C)[C@]12CC[C@]3(C)CC[C@@]4(C)[C@H]5O[C@@H]6OC[C@]7(O)[C@H](O)C(=CC[C@@H]4[C@]13O2)[C@H]5[C@@]6(O)[C@H]7O |
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InChI Identifier | InChI=1S/C25H36O7/c1-12(2)23-10-8-20(3)7-9-21(4)14(25(20,23)32-23)6-5-13-15-17(21)31-19-24(15,29)18(27)22(28,11-30-19)16(13)26/h5,12,14-19,26-29H,6-11H2,1-4H3/t14-,15+,16+,17-,18?,19-,20-,21+,22-,23+,24+,25+/m0/s1 |
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InChI Key | RPGNTFOOTHCMMB-BHMBQNOHSA-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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