Structure Information
Structure

Compound Identification

SMILES

COC(=O)C[C@@H]1[C@](C)(CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C)[C@@H](C)C(=O)OC

InChIKey

InChIKey=CYTUCTBTICNVAN-OCRIGOCTSA-N

Formula

C32H54O4

Mass

502.78

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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

Colensane and clerodane diterpenoids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Clerodane diterpenoid - 16-oxosteroid - Oxosteroid - Steroid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.

External Descriptors

Not available

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