Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@@H]3[C@@H](CC[C@@]45C[C@@H]6C[C@@H](O[C@@](C)(O6)O4)[C@]35C=O)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1

InChIKey

InChIKey=QMZMTFLDQTWANC-TZHNPBBXSA-N

Formula

C26H32O7

Mass

456.535

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroid lactones

Intermediate Tree Nodes

Not available

Direct Parent

Bufanolides and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Bufanolide-skeleton - Carboxylic acid orthoester - Pyranone - Ortho ester - Meta-dioxane - Pyran - Heteroaromatic compound - Cyclic alcohol - Tertiary alcohol - Lactone - Orthocarboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aldehyde - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.

External Descriptors

Not available

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