| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-08 07:08:47 UTC |
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| Updated at | 2022-09-08 07:08:47 UTC |
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| NP-MRD ID | NP0263838 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 14-hydroxy-3-isopropyl-14-methyl-6,10-dimethylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-11-yl acetate |
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| Description | 14-Hydroxy-14-methyl-6,10-dimethylidene-3-(propan-2-yl)-15-oxatricyclo[6.6.1.0²,⁷]Pentadecan-11-yl acetate belongs to the class of organic compounds known as eunicellane and asbestinane diterpenoids. These are diterpenoids with a structure based on either the eunicellane (5,14-cyclocembrane) or the asbestinane skeleton. 14-hydroxy-3-isopropyl-14-methyl-6,10-dimethylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-11-yl acetate is found in Cladiella pachyclados. 14-Hydroxy-14-methyl-6,10-dimethylidene-3-(propan-2-yl)-15-oxatricyclo[6.6.1.0²,⁷]Pentadecan-11-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | CC(C)C1CCC(=C)C2C3CC(=C)C(CCC(C)(O)C(O3)C12)OC(C)=O InChI=1S/C22H34O4/c1-12(2)16-8-7-13(3)19-18-11-14(4)17(25-15(5)23)9-10-22(6,24)21(26-18)20(16)19/h12,16-21,24H,3-4,7-11H2,1-2,5-6H3 |
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| Synonyms | | Value | Source |
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| 14-Hydroxy-14-methyl-6,10-dimethylidene-3-(propan-2-yl)-15-oxatricyclo[6.6.1.0,]pentadecan-11-yl acetic acid | Generator | | 14-Hydroxy-14-methyl-6,10-dimethylidene-3-(propan-2-yl)-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-11-yl acetic acid | Generator |
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| Chemical Formula | C22H34O4 |
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| Average Mass | 362.5100 Da |
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| Monoisotopic Mass | 362.24571 Da |
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| IUPAC Name | 14-hydroxy-14-methyl-6,10-dimethylidene-3-(propan-2-yl)-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-11-yl acetate |
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| Traditional Name | 14-hydroxy-3-isopropyl-14-methyl-6,10-dimethylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-11-yl acetate |
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| CAS Registry Number | Not Available |
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| SMILES | CC(C)C1CCC(=C)C2C3CC(=C)C(CCC(C)(O)C(O3)C12)OC(C)=O |
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| InChI Identifier | InChI=1S/C22H34O4/c1-12(2)16-8-7-13(3)19-18-11-14(4)17(25-15(5)23)9-10-22(6,24)21(26-18)20(16)19/h12,16-21,24H,3-4,7-11H2,1-2,5-6H3 |
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| InChI Key | CDRWIAOABOJFQY-UHFFFAOYSA-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 eunicellane and asbestinane diterpenoids. These are diterpenoids with a structure based on either the eunicellane (5,14-cyclocembrane) or the asbestinane skeleton. |
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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 | Diterpenoids |
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| Direct Parent | Eunicellane and asbestinane diterpenoids |
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| Alternative Parents | |
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| Substituents | - Eunicellane-type diterpenoid
- Cladiellane diterpenoid
- Tertiary alcohol
- Tetrahydrofuran
- Carboxylic acid ester
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Monocarboxylic acid or derivatives
- Oxacycle
- Organoheterocyclic compound
- Carbonyl group
- Organic oxide
- Alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- 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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