Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 05:54:47 UTC |
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Updated at | 2022-09-07 05:54:47 UTC |
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NP-MRD ID | NP0244990 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1s)-3,7,10,10-tetramethylcycloundeca-3,7-dien-1-yl 3-(4-hydroxyphenyl)prop-2-enoate |
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Description | (1S)-3,7,10,10-tetramethylcycloundeca-3,7-dien-1-yl 3-(4-hydroxyphenyl)prop-2-enoate belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (1s)-3,7,10,10-tetramethylcycloundeca-3,7-dien-1-yl 3-(4-hydroxyphenyl)prop-2-enoate is found in Pilea cavaleriei. Based on a literature review very few articles have been published on (1S)-3,7,10,10-tetramethylcycloundeca-3,7-dien-1-yl 3-(4-hydroxyphenyl)prop-2-enoate. |
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Structure | CC1=CCC(C)(C)C[C@@H](CC(C)=CCC1)OC(=O)C=CC1=CC=C(O)C=C1 InChI=1S/C24H32O3/c1-18-6-5-7-19(2)16-22(17-24(3,4)15-14-18)27-23(26)13-10-20-8-11-21(25)12-9-20/h7-14,22,25H,5-6,15-17H2,1-4H3/t22-/m1/s1 |
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Synonyms | Value | Source |
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(1S)-3,7,10,10-Tetramethylcycloundeca-3,7-dien-1-yl 3-(4-hydroxyphenyl)prop-2-enoic acid | Generator |
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Chemical Formula | C24H32O3 |
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Average Mass | 368.5170 Da |
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Monoisotopic Mass | 368.23514 Da |
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IUPAC Name | (1S)-3,7,10,10-tetramethylcycloundeca-3,7-dien-1-yl 3-(4-hydroxyphenyl)prop-2-enoate |
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Traditional Name | (1S)-3,7,10,10-tetramethylcycloundeca-3,7-dien-1-yl 3-(4-hydroxyphenyl)prop-2-enoate |
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CAS Registry Number | Not Available |
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SMILES | CC1=CCC(C)(C)C[C@@H](CC(C)=CCC1)OC(=O)C=CC1=CC=C(O)C=C1 |
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InChI Identifier | InChI=1S/C24H32O3/c1-18-6-5-7-19(2)16-22(17-24(3,4)15-14-18)27-23(26)13-10-20-8-11-21(25)12-9-20/h7-14,22,25H,5-6,15-17H2,1-4H3/t22-/m1/s1 |
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InChI Key | SPBVSJHMHZCQRT-JOCHJYFZSA-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 sesquiterpenoids. These are terpenes with three consecutive 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 | Sesquiterpenoids |
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Direct Parent | Sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Humulane sesquiterpenoid
- Sesquiterpenoid
- Coumaric acid ester
- Cinnamic acid ester
- Hydroxycinnamic acid or derivatives
- Coumaric acid or derivatives
- Cinnamic acid or derivatives
- Styrene
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Fatty acid ester
- Fatty acyl
- Benzenoid
- Monocyclic benzene moiety
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic 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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