Record Information |
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Version | 1.0 |
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Created at | 2022-09-04 00:12:43 UTC |
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Updated at | 2022-09-04 00:12:43 UTC |
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NP-MRD ID | NP0184946 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1s,2s,6s,7r,8r,9s)-7-ethenyl-7-methyl-5,12-dimethylidene-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0²,⁶]dodecan-8-yl (2r)-2-methylbutanoate |
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Description | (1S,2S,6S,7R,8R,9S)-7-ethenyl-7-methyl-5,12-dimethylidene-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0²,⁶]Dodecan-8-yl (2R)-2-methylbutanoate belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. (1s,2s,6s,7r,8r,9s)-7-ethenyl-7-methyl-5,12-dimethylidene-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0²,⁶]dodecan-8-yl (2r)-2-methylbutanoate is found in Zinnia flavicoma. Based on a literature review very few articles have been published on (1S,2S,6S,7R,8R,9S)-7-ethenyl-7-methyl-5,12-dimethylidene-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0²,⁶]Dodecan-8-yl (2R)-2-methylbutanoate. |
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Structure | CC[C@@H](C)C(=O)O[C@H]1[C@H]2OC(=O)C(=C)[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2[C@@]1(C)C=C InChI=1S/C20H24O6/c1-7-9(3)17(21)26-16-15-12(10(4)18(22)25-15)14-13(20(16,6)8-2)11(5)19(23)24-14/h8-9,12-16H,2,4-5,7H2,1,3,6H3/t9-,12+,13+,14-,15+,16+,20-/m1/s1 |
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Synonyms | Value | Source |
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(1S,2S,6S,7R,8R,9S)-7-Ethenyl-7-methyl-5,12-dimethylidene-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0,]dodecan-8-yl (2R)-2-methylbutanoic acid | Generator |
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Chemical Formula | C20H24O6 |
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Average Mass | 360.4060 Da |
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Monoisotopic Mass | 360.15729 Da |
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IUPAC Name | (1S,2S,6S,7R,8R,9S)-7-ethenyl-7-methyl-5,12-dimethylidene-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0^{2,6}]dodecan-8-yl (2R)-2-methylbutanoate |
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Traditional Name | (1S,2S,6S,7R,8R,9S)-7-ethenyl-7-methyl-5,12-dimethylidene-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0^{2,6}]dodecan-8-yl (2R)-2-methylbutanoate |
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CAS Registry Number | Not Available |
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SMILES | CC[C@@H](C)C(=O)O[C@H]1[C@H]2OC(=O)C(=C)[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2[C@@]1(C)C=C |
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InChI Identifier | InChI=1S/C20H24O6/c1-7-9(3)17(21)26-16-15-12(10(4)18(22)25-15)14-13(20(16,6)8-2)11(5)19(23)24-14/h8-9,12-16H,2,4-5,7H2,1,3,6H3/t9-,12+,13+,14-,15+,16+,20-/m1/s1 |
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InChI Key | RVPNMMMHNAJZDK-YVKDHSNVSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Not Available | 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 tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Tricarboxylic acids and derivatives |
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Direct Parent | Tricarboxylic acids and derivatives |
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Alternative Parents | |
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Substituents | - Tricarboxylic acid or derivatives
- Fatty acid ester
- Gamma butyrolactone
- Fatty acyl
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tetrahydrofuran
- Lactone
- Carboxylic acid ester
- Organoheterocyclic compound
- Oxacycle
- Carbonyl group
- Organic oxide
- Organooxygen compound
- Organic oxygen compound
- Hydrocarbon derivative
- 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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