Record Information |
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Version | 1.0 |
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Created at | 2022-04-29 03:21:04 UTC |
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Updated at | 2022-04-29 03:21:04 UTC |
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NP-MRD ID | NP0082309 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-ent-2,3-Seco-beyer-15-ene-2,3-dioic acid |
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Description | 2-[(1S,4R,5S,6S,9S)-5-(carboxymethyl)-5,9-dimethyltricyclo[7.2.1.0¹,⁶]Dodec-10-en-4-yl]-2-methylpropanoic acid belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. (+)-ent-2,3-Seco-beyer-15-ene-2,3-dioic acid is found in Spirostachys africana . Based on a literature review very few articles have been published on 2-[(1S,4R,5S,6S,9S)-5-(carboxymethyl)-5,9-dimethyltricyclo[7.2.1.0¹,⁶]Dodec-10-en-4-yl]-2-methylpropanoic acid. |
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Structure | CC(C)([C@@H]1CC[C@@]23C[C@](C)(CC[C@H]2[C@]1(C)CC(O)=O)C=C3)C(O)=O InChI=1S/C20H30O4/c1-17(2,16(23)24)13-6-8-20-10-9-18(3,12-20)7-5-14(20)19(13,4)11-15(21)22/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,21,22)(H,23,24)/t13-,14-,18+,19+,20+/m0/s1 |
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Synonyms | Value | Source |
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2-[(1S,4R,5S,6S,9S)-5-(Carboxymethyl)-5,9-dimethyltricyclo[7.2.1.0,]dodec-10-en-4-yl]-2-methylpropanoate | Generator |
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Chemical Formula | C20H30O4 |
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Average Mass | 334.4560 Da |
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Monoisotopic Mass | 334.21441 Da |
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IUPAC Name | 2-[(1S,4R,5S,6S,9S)-5-(carboxymethyl)-5,9-dimethyltricyclo[7.2.1.0^{1,6}]dodec-10-en-4-yl]-2-methylpropanoic acid |
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Traditional Name | 2-[(1S,4R,5S,6S,9S)-5-(carboxymethyl)-5,9-dimethyltricyclo[7.2.1.0^{1,6}]dodec-10-en-4-yl]-2-methylpropanoic acid |
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CAS Registry Number | Not Available |
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SMILES | CC(C)([C@@H]1CC[C@@]23C[C@](C)(CC[C@H]2[C@]1(C)CC(O)=O)C=C3)C(O)=O |
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InChI Identifier | InChI=1S/C20H30O4/c1-17(2,16(23)24)13-6-8-20-10-9-18(3,12-20)7-5-14(20)19(13,4)11-15(21)22/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,21,22)(H,23,24)/t13-,14-,18+,19+,20+/m0/s1 |
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InChI Key | VZEYWVSTCVDYGB-LNARHQNUSA-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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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid 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 | Dicarboxylic acids and derivatives |
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Direct Parent | Dicarboxylic acids and derivatives |
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Alternative Parents | |
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Substituents | - Dicarboxylic acid or derivatives
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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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