| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-08 07:44:34 UTC |
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| Updated at | 2022-09-08 07:44:34 UTC |
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| NP-MRD ID | NP0264273 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | [(1r,2e,8r,10s,11s)-10-(acetyloxy)-8,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate |
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| Description | [(1R,8R,10S,11S)-10-(acetyloxy)-8,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]Tetradeca-2,6-dien-6-yl]methyl acetate belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Based on a literature review very few articles have been published on [(1R,8R,10S,11S)-10-(acetyloxy)-8,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]Tetradeca-2,6-dien-6-yl]methyl acetate. |
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| Structure | CC(=O)OCC1=C2[C@H](O)C[C@](C)(OC(C)=O)[C@]3(O)CC[C@@](C)(O3)\C=C2\OC1=O InChI=1S/C19H24O9/c1-10(20)25-9-12-15-13(22)7-18(4,27-11(2)21)19(24)6-5-17(3,28-19)8-14(15)26-16(12)23/h8,13,22,24H,5-7,9H2,1-4H3/b14-8+/t13-,17-,18+,19+/m1/s1 |
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| Synonyms | | Value | Source |
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| [(1R,8R,10S,11S)-10-(Acetyloxy)-8,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0,]tetradeca-2,6-dien-6-yl]methyl acetic acid | Generator |
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| Chemical Formula | C19H24O9 |
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| Average Mass | 396.3920 Da |
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| Monoisotopic Mass | 396.14203 Da |
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| IUPAC Name | [(1R,8R,10S,11S)-10-(acetyloxy)-8,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-6-yl]methyl acetate |
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| Traditional Name | [(1R,8R,10S,11S)-10-(acetyloxy)-8,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-6-yl]methyl acetate |
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| CAS Registry Number | Not Available |
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| SMILES | CC(=O)OCC1=C2[C@H](O)C[C@](C)(OC(C)=O)[C@]3(O)CC[C@@](C)(O3)\C=C2\OC1=O |
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| InChI Identifier | InChI=1S/C19H24O9/c1-10(20)25-9-12-15-13(22)7-18(4,27-11(2)21)19(24)6-5-17(3,28-19)8-14(15)26-16(12)23/h8,13,22,24H,5-7,9H2,1-4H3/b14-8+/t13-,17-,18+,19+/m1/s1 |
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| InChI Key | UJOLIVKCUHQIRS-ZYDBFUAKSA-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 | Not Available |
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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
- Dihydrofuran
- Enol ester
- Tetrahydrofuran
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Hemiacetal
- Lactone
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Organooxygen compound
- Carbonyl group
- 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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