Structure Information
Structure

Compound Identification

SMILES

CC(C)CC(=O)O[C@H]1[C@H](OC=O)[C@H](C(=C)[C@]2(O)C(=O)C[C@H](C3=COC=C3)[C@]12C)[C@]1(C)[C@H]2CC(=O)OC[C@@]2(C)OC(=O)C[C@@H]1OC(C)=O

InChIKey

InChIKey=BGIQNWKPRGQOMD-PPSVOAGPSA-N

Formula

C34H42O13

Mass

658.697

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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 - Pentacarboxylic acid or derivatives - Caprolactone - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Oxepane - Fatty acyl - Oxane - Cyclic alcohol - Furan - Heteroaromatic compound - Tertiary alcohol - Lactone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - 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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