Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C#N)[C@@H]2CCC2=COC=C12)OS(=O)(=O)C(F)(F)F

InChIKey

InChIKey=IZXIJTIMFWROEH-PXDFHXHNSA-N

Formula

C23H28F3NO6S

Mass

503.53

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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

Isocopalane and spongiane diterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Spongiane diterpenoid - Steroid - Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Furan - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Trihalomethane - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Cyanide - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isocopalane and spongiane diterpenoids. These are diterpenoids with a structure based on the isocopalane (Tetradecahydro-1,1,4a,7,8,8a-hexamethylphenanthrene) or the 15,16-epoxyisocopalane skeleton.

External Descriptors

Not available

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