Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCC(=O)OC1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=CC2[C@@H]2[C@@](C)(CO)[C@]12OC(C)=O

InChIKey

InChIKey=BPOPPBUSFQTHKU-QTOHHXPFSA-N

Formula

C38H60O8

Mass

644.89

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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 - Daphnane diterpenoid - Rhamnofolane diterpenoid - Long chain fatty alcohol - Fatty alcohol ester - Fatty alcohol - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Acryloyl-group - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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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