| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-03 03:30:12 UTC |
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| Updated at | 2022-09-03 03:30:12 UTC |
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| NP-MRD ID | NP0167831 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1r,3br,9bs,11ar)-1-(5,6-dimethylhept-6-en-2-yl)-9b-ethyl-3a,6,6,11a-tetramethyl-dodecahydrocyclopenta[a]phenanthren-7-one |
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| Description | (1S,10R,14R,15R)-14-(5,6-dimethylhept-6-en-2-yl)-1-ethyl-6,6,11,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecan-5-one belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. (1r,3br,9bs,11ar)-1-(5,6-dimethylhept-6-en-2-yl)-9b-ethyl-3a,6,6,11a-tetramethyl-dodecahydrocyclopenta[a]phenanthren-7-one is found in Poa huecu, Sabal yapa and Tillandsia fasciculata. Based on a literature review very few articles have been published on (1S,10R,14R,15R)-14-(5,6-dimethylhept-6-en-2-yl)-1-ethyl-6,6,11,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecan-5-one. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C32H54O |
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| Average Mass | 454.7830 Da |
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| Monoisotopic Mass | 454.41747 Da |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | Not Available |
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| SMILES | Not Available |
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| InChI Identifier | Not Available |
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| InChI Key | FGNWCYYZFNFGTP-ZKRZSAGZSA-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 cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Cucurbitacins |
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| Direct Parent | Cucurbitacins |
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| Alternative Parents | |
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| Substituents | - Triterpenoid
- Cucurbitacin skeleton
- Oxosteroid
- 3-oxosteroid
- Cyclic ketone
- Ketone
- 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 | Not Available |
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