Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13CC(OC(=O)C4=CC=CC=C4)[C@H](C[C@H]21)C(=C)C3

InChIKey

InChIKey=VBBDHCOXUOYILV-PPMBQDCSSA-N

Formula

C28H36O4

Mass

436.592

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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

Villanovane, atisane, trachylobane or helvifulvane diterpenoids

Direct Parent

Atisane diterpenoids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Atisane diterpenoid - Benzoate ester - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12.

External Descriptors

Not available

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