Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@@H](C[C@H]4O[C@@]234)C2=COC=C2)[C@@]2(C)C=CC(=O)OC(C)(C)[C@H]12

InChIKey

InChIKey=VVQABWUCPJACPI-PCMXRIIZSA-N

Formula

C30H38O8

Mass

526.626

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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 - Naphthalene - Tricarboxylic acid or derivatives - Pyran - Oxane - Furan - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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

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