Structure Information
Structure

Compound Identification

SMILES

CC12CCC(OC(=O)C=Cc3ccccc3)C(C)(C1CCC13CC(CCC21)C(=C)C3)C(O)=O

InChIKey

InChIKey=BJQOPHXIKHSJOP-UHFFFAOYSA-N

Formula

C29H36O4

Mass

448.603

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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

Kaurane diterpenoids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Kaurane diterpenoid - Steroid - Cinnamic acid or derivatives - Cinnamic acid ester - Styrene - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.

External Descriptors

Not available

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