Structure Information
Structure

Compound Identification

SMILES

CC1(C)CCC(O)C23COC(O)(C(O)C12)C12C(OC(=O)C4=CC=C(Br)C=C4)C(CCC31)C(=C)C2=O

InChIKey

InChIKey=FIBYFVHMMLNGTK-UHFFFAOYSA-N

Formula

C27H31BrO7

Mass

547.442

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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 heteropolycyclic compounds

Substituents

Kaurane diterpenoid - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Oxane - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Cyclic alcohol - Secondary alcohol - Ketone - Hemiacetal - Carboxylic acid ester - Oxacycle - Polyol - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Aromatic heteropolycyclic 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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