Structure Information
Structure

Compound Identification

SMILES

C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)OC(C)(C)[C@@H]4CC(=O)[C@@]3(C)[C@]11O[C@@H]1C(=O)O[C@H]2C1=CC(O)OC1=O

InChIKey

InChIKey=LUSHRJRLUBDDTB-KNQGVANASA-N

Formula

C26H30O9

Mass

486.517

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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

Aliphatic heteropolycyclic compounds

Substituents

Limonoid skeleton - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Delta_valerolactone - Dioxepane - Delta valerolactone - 1,4-dioxepane - Pyran - Oxane - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Lactone - Ketone - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic 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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