Compound Identification
SMILES
CCC(C)C(OC(C)=O)C(=O)OC1C(OC=O)C(C(=C)C2(O)C(=O)CC(c3ccoc3)[C@@]12C)[C@@]1(C)C(CC(=O)O[C@@](C)(COC(C)=O)C1CC(=O)OC)OC(C)=O
InChIKey
InChIKey=NIDUTZAIIODVCH-KMYLBDCISA-N
Formula
C40H52O17
Mass
804.839
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
Oxepanes Fatty acid esters Monosaccharides Tertiary alcohols Methyl esters Heteroaromatic compounds Furans Lactones Ketones Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Caprolactone - Fatty acid ester - Oxepane - Monosaccharide - Fatty acyl - Methyl ester - Tertiary alcohol - Heteroaromatic compound - Cyclic alcohol - Furan - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - Hydrocarbon derivative - 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