Record Information |
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Version | 1.0 |
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Created at | 2022-09-03 11:09:29 UTC |
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Updated at | 2022-09-03 11:09:29 UTC |
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NP-MRD ID | NP0173960 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1s,6s,11s,14r,15s,18r,19r,20r,21s)-20,21-dihydroxy-8,8,14,15,18,19-hexamethyl-23-oxahexacyclo[17.3.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracosa-2,4-diene-11-carboxylic acid |
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Description | Mimusopsic acid, also known as mimusopsate, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (1s,6s,11s,14r,15s,18r,19r,20r,21s)-20,21-dihydroxy-8,8,14,15,18,19-hexamethyl-23-oxahexacyclo[17.3.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracosa-2,4-diene-11-carboxylic acid is found in Mimusops elengi. Based on a literature review very few articles have been published on Mimusopsic acid. |
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Structure | C[C@@]12CO[C@]3(C[C@H](O)[C@@H]1O)C1=CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]4(C)[C@]1(C)CC[C@]23C)C(O)=O InChI=1S/C30H44O5/c1-24(2)9-13-29(23(33)34)14-11-25(3)18(19(29)15-24)7-8-21-26(25,4)10-12-28(6)27(5)17-35-30(21,28)16-20(31)22(27)32/h7-8,19-20,22,31-32H,9-17H2,1-6H3,(H,33,34)/t19-,20-,22-,25+,26+,27+,28+,29-,30+/m0/s1 |
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Synonyms | Value | Source |
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Mimusopsate | Generator |
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Chemical Formula | C30H44O5 |
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Average Mass | 484.6770 Da |
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Monoisotopic Mass | 484.31887 Da |
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IUPAC Name | (1S,6S,11S,14R,15S,18R,19R,20R,21S)-20,21-dihydroxy-8,8,14,15,18,19-hexamethyl-23-oxahexacyclo[17.3.2.0^{1,18}.0^{2,15}.0^{5,14}.0^{6,11}]tetracosa-2,4-diene-11-carboxylic acid |
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Traditional Name | (1S,6S,11S,14R,15S,18R,19R,20R,21S)-20,21-dihydroxy-8,8,14,15,18,19-hexamethyl-23-oxahexacyclo[17.3.2.0^{1,18}.0^{2,15}.0^{5,14}.0^{6,11}]tetracosa-2,4-diene-11-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | C[C@@]12CO[C@]3(C[C@H](O)[C@@H]1O)C1=CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]4(C)[C@]1(C)CC[C@]23C)C(O)=O |
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InChI Identifier | InChI=1S/C30H44O5/c1-24(2)9-13-29(23(33)34)14-11-25(3)18(19(29)15-24)7-8-21-26(25,4)10-12-28(6)27(5)17-35-30(21,28)16-20(31)22(27)32/h7-8,19-20,22,31-32H,9-17H2,1-6H3,(H,33,34)/t19-,20-,22-,25+,26+,27+,28+,29-,30+/m0/s1 |
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InChI Key | USYXGKNEFILPTL-IBADSESOSA-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
- Naphthofuran
- Oxepane
- Cyclic alcohol
- Tetrahydrofuran
- 1,2-diol
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Dialkyl ether
- Ether
- Monocarboxylic acid or derivatives
- Oxacycle
- Organoheterocyclic compound
- Carbonyl group
- Organic oxide
- Alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic 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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