Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(=O)O[C@@H]1[C@@H]2OC[C@@]3(C)[C@H]2[C@](C)([C@H](C[C@H]3OC(C)=O)OC(C)=O)[C@H]2CC[C@@]3(C)[C@@H](C(=O)C=C3[C@]12C)C1=COC=C1

InChIKey

InChIKey=GDQFZORSNBPGFF-QORDLJGISA-N

Formula

C35H46O9

Mass

610.744

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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 - 17-furanylsteroid skeleton - Steroid ester - Steroid - Naphthofuran - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Heteroaromatic compound - Furan - Tetrahydrofuran - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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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