Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1[C@@H](OC(=O)C=CC2=CC=CC=C2)[C@]2(OC(=O)C=CC3=CC=CC=C3)[C@H]([C@@H]3C=C(COC(=O)C=CC4=CC=CC=C4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C

InChIKey

InChIKey=SLUIIVYJIIKLOV-KWSPBQRWSA-N

Formula

C47H46O9

Mass

754.876

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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

Tigliane diterpenoid - Daphnane diterpenoid - Rhamnofolane diterpenoid - Fatty alcohol ester - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Monocyclic benzene moiety - Acyloin - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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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