Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1C(=O)O[C@H]1CC2[C@@](C)(COC(C)=O)[C@@H](CC[C@@]2(C)[C@@H]2CC[C@H]3C[C@]12CC3=C)OC(=O)C1=CC=CC=C1OC

InChIKey

InChIKey=ISYAFHCSWJXENP-QYFXYHFTSA-N

Formula

C38H46O8

Mass

630.778

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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 - O-methoxybenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Anisole - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Ether - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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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