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](OC(=O)[C@@H]4O[C@]34[C@]12C)C1=COC=C1

InChIKey

InChIKey=WXLJFWSIRHRKEI-HINHAAGSSA-N

Formula

C35H46O11

Mass

642.742

Export to:

JSON SDF CSV

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 - Naphthofuran - Tetracarboxylic acid or derivatives - Naphthalene - 1,4-dioxepane - Delta valerolactone - Dioxepane - Fatty acid ester - Delta_valerolactone - Oxane - Fatty acyl - Pyran - Heteroaromatic compound - Tetrahydrofuran - Furan - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Oxirane - Dialkyl ether - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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

Previous Back Next