Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 05:57:02 UTC |
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Updated at | 2022-09-12 05:57:02 UTC |
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NP-MRD ID | NP0325302 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1r,10r,11s)-6-[(acetyloxy)methyl]-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate |
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Description | (1R,10R,11S)-6-[(acetyloxy)methyl]-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]Tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. (1r,10r,11s)-6-[(acetyloxy)methyl]-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate is found in Lepidaploa leptoclada, Orbivestus cinerascens and Vernonanthura squamulosa. Based on a literature review very few articles have been published on (1R,10R,11S)-6-[(acetyloxy)methyl]-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]Tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate. |
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Structure | CC(=O)OCC1=C2C(C[C@@](C)(O)[C@]3(O)CC[C@@](C)(O3)C=C2OC1=O)OC(=O)C(C)=C InChI=1S/C21H26O9/c1-11(2)17(23)28-15-9-20(5,25)21(26)7-6-19(4,30-21)8-14-16(15)13(18(24)29-14)10-27-12(3)22/h8,15,25-26H,1,6-7,9-10H2,2-5H3/t15?,19-,20-,21+/m1/s1 |
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Synonyms | Value | Source |
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(1R,10R,11S)-6-[(Acetyloxy)methyl]-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0,]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoic acid | Generator |
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Chemical Formula | C21H26O9 |
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Average Mass | 422.4300 Da |
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Monoisotopic Mass | 422.15768 Da |
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IUPAC Name | (1R,10R,11S)-6-[(acetyloxy)methyl]-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate |
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Traditional Name | (1R,10R,11S)-6-[(acetyloxy)methyl]-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)OCC1=C2C(C[C@@](C)(O)[C@]3(O)CC[C@@](C)(O3)C=C2OC1=O)OC(=O)C(C)=C |
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InChI Identifier | InChI=1S/C21H26O9/c1-11(2)17(23)28-15-9-20(5,25)21(26)7-6-19(4,30-21)8-14-16(15)13(18(24)29-14)10-27-12(3)22/h8,15,25-26H,1,6-7,9-10H2,2-5H3/t15?,19-,20-,21+/m1/s1 |
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InChI Key | BZQDHZDSIXPDSS-ORBPOIABSA-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 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
- 2-furanone
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tetrahydrofuran
- Tertiary alcohol
- Enol ester
- Dihydrofuran
- Lactone
- Hemiacetal
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- 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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