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Structure Information
Structure

Compound Identification

SMILES

CO[C@@](C(=O)O[C@@H]1C[C@H]([C@H]([C@@H]1C=O)[C@@H]1[C@H](C)C=CC1=O)C(\C)=C/CC=C(C)C)(C1=CC=CC=C1)C(F)(F)F

InChIKey

InChIKey=WCFWTSQEFYBURF-IVWYPVBGSA-N

Formula

C30H35F3O5

Mass

532.6

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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

Spatane and 4,10-secospatane diterpenoids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

4,10-secospatane diterpenoid - Benzylether - Monocyclic benzene moiety - Benzenoid - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aldehyde - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as spatane and 4,10-secospatane diterpenoids. These are diterpenoids with a structure based on the spatane or 4,10-secospatane skeleton. The spatane skeleton is formally derived from a prenylgermacrane by 1,5- and 6,10-cyclisation.

External Descriptors

Not available

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