Record Information |
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Version | 1.0 |
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Created at | 2022-09-11 03:33:19 UTC |
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Updated at | 2022-09-11 03:33:20 UTC |
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NP-MRD ID | NP0309165 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (4as,6as,6br,9r,10r,11s,12ar,12bs,14br)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,4a,6,7,10,11,12,12b,13,14b-dodecahydropicen-5-one |
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Description | Mimusopgenone belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (4as,6as,6br,9r,10r,11s,12ar,12bs,14br)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,4a,6,7,10,11,12,12b,13,14b-dodecahydropicen-5-one is found in Mimusops elengi. Based on a literature review very few articles have been published on Mimusopgenone. |
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Structure | CC1(C)CC[C@H]2[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O)[C@@](C)(CO)C4=CC[C@@]3(C)[C@]1(C)CC2=O InChI=1S/C29H44O4/c1-25(2)11-9-17-18(13-25)19-7-8-23-26(3)14-21(32)24(33)27(4,16-30)22(26)10-12-28(23,5)29(19,6)15-20(17)31/h7,10,17-18,21,23-24,30,32-33H,8-9,11-16H2,1-6H3/t17-,18+,21-,23+,24-,26-,27-,28+,29+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C29H44O4 |
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Average Mass | 456.6670 Da |
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Monoisotopic Mass | 456.32396 Da |
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IUPAC Name | (4aS,6aS,6bR,9R,10R,11S,12aR,12bS,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,9,10,11,12,12a,12b,13,14b-octadecahydropicen-5-one |
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Traditional Name | (4aS,6aS,6bR,9R,10R,11S,12aR,12bS,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,4a,6,7,10,11,12,12b,13,14b-dodecahydropicen-5-one |
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CAS Registry Number | Not Available |
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SMILES | CC1(C)CC[C@H]2[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O)[C@@](C)(CO)C4=CC[C@@]3(C)[C@]1(C)CC2=O |
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InChI Identifier | InChI=1S/C29H44O4/c1-25(2)11-9-17-18(13-25)19-7-8-23-26(3)14-21(32)24(33)27(4,16-30)22(26)10-12-28(23,5)29(19,6)15-20(17)31/h7,10,17-18,21,23-24,30,32-33H,8-9,11-16H2,1-6H3/t17-,18+,21-,23+,24-,26-,27-,28+,29+/m0/s1 |
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InChI Key | NLCOVPRKCJTMBB-CDTRYRHISA-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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Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six 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 | Triterpenoids |
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Direct Parent | Triterpenoids |
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Alternative Parents | |
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Substituents | - Triterpenoid
- 12-hydroxysteroid
- Hydroxysteroid
- 12-alpha-hydroxysteroid
- Steroid
- Cyclic alcohol
- Secondary alcohol
- Ketone
- Organic oxygen compound
- Primary alcohol
- Organooxygen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- 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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