Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CC(C=C(C)C)C2=C3C1CC[C@H](C)C3=C(OCC1=CC=CC=C1)C(OS(C)(=O)=O)=C2C

InChIKey

InChIKey=VZDFDRZEUZGSHO-NAMINWQUSA-N

Formula

C28H36O4S

Mass

468.65

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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

Amphilectane, neoamphilectane, cycloamphilectane, and adociane diterpenoids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Amphilectane, neoamphilectane, cycloamphilectane, or adociane diterpenoid - Tetralin - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Sulfonyl - Ether - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as amphilectane, neoamphilectane, cycloamphilectane, and adociane diterpenoids. These are diterpenoids with a structure based on the amphilectane or a seco-,neo-, or cyclo- derivative thereof. Amphilectane is a tricyclic structure made up of three cyclohexane fused together, with a methyl group at the C11-, C7-, and C3- positions. Additionally, it carries a 2-methylpropyl group at the C1-position. Amphilectanes are presumably derived from serrulatanes. Cycloamphilectanes represent a further cyclisation.

External Descriptors

Not available

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