Compound Identification
SMILES
COC(=O)C(OC(C)=O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)CC[C@@H](C4=C)[C@]12C
InChIKey
InChIKey=QSQFOIMEVMOMIJ-XTJNNKIQSA-N
Formula
C29H36O9
Mass
528.598
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Triterpenoids
- Level 5 Limonoids
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Subclass
Triterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Limonoids
Alternative Parents
Tricarboxylic acids and derivatives Delta valerolactones Oxanes Methyl esters Heteroaromatic compounds Furans Cyclic ketones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Tricarboxylic acid or derivatives - Delta valerolactone - Delta_valerolactone - Oxane - Furan - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Carboxylic acid derivative - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound 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.
External Descriptors
Not available