Structure Information
Structure

Compound Identification

SMILES

COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1CC[C@@]2(C)C(CCC3=C2C[C@H](O)[C@]2(C)[C@H](CC[C@@]32C)C(C)CCC(=C)[C@H](C)C(O)=O)C1(C)C

InChIKey

InChIKey=JJYYLQGYXTZKMO-MBATXCIBSA-N

Formula

C38H60O8

Mass

644.89

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Triterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Triterpenoids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Triterpenoid - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - Steroid ester - Steroid acid - 14-alpha-methylsteroid - 12-hydroxysteroid - Hydroxysteroid - Steroid - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

External Descriptors

Not available

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