| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-06 12:18:59 UTC |
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| Updated at | 2022-09-06 12:18:59 UTC |
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| NP-MRD ID | NP0231451 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1r,3br,4r,5as,7r,9s,9as,9br,11as)-7,9-bis(acetyloxy)-1-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-3b,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate |
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| Description | (1R,2S,3S,5R,7S,9R,10R,14R,15S)-3,5-bis(acetyloxy)-14-[(2R)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl]-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-11-en-9-yl acetate belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17. (1r,3br,4r,5as,7r,9s,9as,9br,11as)-7,9-bis(acetyloxy)-1-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-3b,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate is found in Trichilia havanensis. Based on a literature review very few articles have been published on (1R,2S,3S,5R,7S,9R,10R,14R,15S)-3,5-bis(acetyloxy)-14-[(2R)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl]-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-11-en-9-yl acetate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (1R,2S,3S,5R,7S,9R,10R,14R,15S)-3,5-Bis(acetyloxy)-14-[(2R)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl]-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0,.0,]heptadec-11-en-9-yl acetic acid | Generator |
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| Chemical Formula | C32H44O9 |
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| Average Mass | 572.6950 Da |
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| Monoisotopic Mass | 572.29853 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 | MDQUFNTVPFAZDI-MEZLHGDWSA-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 limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17. |
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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 | Triterpenoids |
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| Direct Parent | Limonoids |
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| Alternative Parents | |
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| Substituents | - Limonoid skeleton
- Steroid ester
- Steroid
- Tetracarboxylic acid or derivatives
- 2-furanone
- Dihydrofuran
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Lactone
- Hemiacetal
- Carboxylic acid ester
- Oxacycle
- Carboxylic acid derivative
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen 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 | Not Available |
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