Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1[C@@H](OC(=O)C(N(C)C)=C(C)C)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@H]4[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C

InChIKey

InChIKey=HHIRMXJEGFWTGN-VHQOBAGBSA-N

Formula

C29H41NO7

Mass

515.647

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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

Aliphatic homopolycyclic compounds

Substituents

Tigliane diterpenoid - Alpha-amino acid or derivatives - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Tertiary amine - Tertiary aliphatic amine - Enamine - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Amine - Alcohol - Aliphatic 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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