| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-06 00:07:44 UTC |
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| Updated at | 2022-09-06 00:07:44 UTC |
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| NP-MRD ID | NP0222322 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1s,2s,3r,5r,9r)-2,9,11,11-tetramethyltricyclo[4.3.2.0¹,⁵]undecan-3-yl acetate |
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| Description | (1S,2S,3R,5R,9R)-2,9,11,11-tetramethyltricyclo[4.3.2.0¹,⁵]Undecan-3-yl acetate belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (1s,2s,3r,5r,9r)-2,9,11,11-tetramethyltricyclo[4.3.2.0¹,⁵]undecan-3-yl acetate is found in Isis hippuris. Based on a literature review very few articles have been published on (1S,2S,3R,5R,9R)-2,9,11,11-tetramethyltricyclo[4.3.2.0¹,⁵]Undecan-3-yl acetate. |
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| Structure | C[C@@H]1[C@@H](C[C@@H]2C3CC[C@@H](C)[C@]12CC3(C)C)OC(C)=O InChI=1S/C17H28O2/c1-10-6-7-13-14-8-15(19-12(3)18)11(2)17(10,14)9-16(13,4)5/h10-11,13-15H,6-9H2,1-5H3/t10-,11-,13?,14-,15-,17-/m1/s1 |
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| Synonyms | | Value | Source |
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| (1S,2S,3R,5R,9R)-2,9,11,11-Tetramethyltricyclo[4.3.2.0,]undecan-3-yl acetic acid | Generator |
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| Chemical Formula | C17H28O2 |
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| Average Mass | 264.4090 Da |
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| Monoisotopic Mass | 264.20893 Da |
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| IUPAC Name | (1S,2S,3R,5R,9R)-2,9,11,11-tetramethyltricyclo[4.3.2.0^{1,5}]undecan-3-yl acetate |
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| Traditional Name | (1S,2S,3R,5R,9R)-2,9,11,11-tetramethyltricyclo[4.3.2.0^{1,5}]undecan-3-yl acetate |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@@H]1[C@@H](C[C@@H]2C3CC[C@@H](C)[C@]12CC3(C)C)OC(C)=O |
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| InChI Identifier | InChI=1S/C17H28O2/c1-10-6-7-13-14-8-15(19-12(3)18)11(2)17(10,14)9-16(13,4)5/h10-11,13-15H,6-9H2,1-5H3/t10-,11-,13?,14-,15-,17-/m1/s1 |
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| InChI Key | FZEDQUWDRAHGQW-GOQQBZTESA-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 diterpenoids. These are terpene compounds formed by four 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 | Diterpenoids |
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| Direct Parent | Diterpenoids |
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| Alternative Parents | |
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| Substituents | - Diterpenoid
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- 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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