Structure Information
Structure

Compound Identification

SMILES

CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCC3=CCN(CC(O)=O)C3=O)\C(CC[C@H]21)=C\OS(O)(=O)=O

InChIKey

InChIKey=QCSNAPLPUTUYES-GYZFJBNPSA-N

Formula

C27H41NO7S

Mass

523.69

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesterterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Cheilanthane sesterterpenoids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cheilanthane sesterterpenoid - Steroid - Hydrophenanthrene - Phenanthrene - Alpha-amino acid or derivatives - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Tertiary carboxylic acid amide - Organic sulfuric acid or derivatives - Pyrroline - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Amino acid - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cheilanthane sesterterpenoids. These are sesterterpnoids with a structure based on the cheilanthane backbone. Cheilanthane is a tricyclic compound consisting of a tetradecahydrophenanthrene ring system that carries two methyl groups at the 1-position, one methyl group at the 4a-,7-, and 8a-positions, as well as a 3-methylpentyl group at the 8-position.

External Descriptors

Not available

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