Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=HELNZVBYWRVMNN-DXRWOZFTSA-N

Formula

C34H42O14

Mass

674.696

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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 - Secondary alcohol - Oxacycle - Carboxylic acid derivative - 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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