Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C5=CC=CC=C5)[C@@]3(O)[C@H](O)C(COC(=O)C3=CC=CC=C3)=C[C@@H]([C@@H]1C2(C)C)C4=O

InChIKey

InChIKey=IBOVEWDDHMBVNW-QEIFUBEOSA-N

Formula

C46H58O9

Mass

754.961

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Tigliane and ingenane diterpenoids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Ingenane diterpenoid - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Tertiary alcohol - Secondary alcohol - Ketone - Carboxylic acid ester - 1,2-diol - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as tigliane and ingenane diterpenoids. These are diterpenoids containing the tigliane or ingenane carbon skeleton. The tigliane skeleton is a tetracyclic ring that consists of the 4/7/6/3 ring junction. It is derived from casbane by 6,10- and 5,14-cyclizations and is a framework of phorbol. The ingenane skeleton is derived by rearrangement of tigliane.

External Descriptors

Not available

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