Structure Information
Structure

Compound Identification

SMILES

[H][C@]1(O)C[C@@]2([H])[C@@](O)([C@@]([H])(O)C[C@@]34C[C@@](C)(O)[C@@]([H])(CC[C@@]3([H])[C@@]2(C)O)[C@@]4([H])OC(C)=O)C1(C)C

InChIKey

InChIKey=NXCYBYJXCJWMRY-CJZCAICLSA-N

Formula

C22H36O7

Mass

412.523

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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

Grayanoids

Direct Parent

Leucothol and grayanotoxane diterpenoids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Grayanotoxane diterpenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as leucothol and grayanotoxane diterpenoids. These are diterpenoids with a structure based either on the leucothol or the grayanotoxane skeleton.

External Descriptors

Not available

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