Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(=O)O[C@@H]1[C@@]2(O)[C@@H](OC(=O)C(C)C)C(C)(C)[C@H](CC(=O)OC)[C@@]3(C)[C@H]4CC[C@]5(C)[C@@H](CC(=O)O[C@H]5C5=COC=C5)[C@@]14O[C@@]23O

InChIKey

InChIKey=FGBXJGAAKNHCKE-NDIYKFPGSA-N

Formula

C36H50O12

Mass

674.784

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Triterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Limonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Mexicanolide - Limonoid skeleton - Steroid lactone - 12-alpha-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - Steroid - Naphthopyran - Tetracarboxylic acid or derivatives - Naphthalene - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Fatty acyl - Pyran - Oxane - Monosaccharide - Heteroaromatic compound - Methyl ester - Tetrahydrofuran - Tertiary alcohol - Furan - Cyclic alcohol - Lactone - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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

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