Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1C[C@]2(C)[C@@H](OC(=O)[C@H]3O[C@]23[C@@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3C(C)(C)C(=O)C=C[C@@]3(C)[C@@H]12)C1=COC=C1

InChIKey

InChIKey=APNPMMWLODZXGC-DLNYKIQPSA-N

Formula

C32H38O11

Mass

598.645

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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

Limonoid skeleton - Naphthopyran - Tetracarboxylic acid or derivatives - Naphthalene - Cyclohexenone - Delta_valerolactone - Dioxepane - Delta valerolactone - 1,4-dioxepane - Pyran - Oxane - Heteroaromatic compound - Furan - Cyclic ketone - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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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