Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C[C@H](OC(C)=O)[C@@]2(O)O[C@@H]3C[C@]4(C)[C@@H](C[C@@H]5O[C@@]55[C@@H]4[C@H](O)C(=O)[C@@]4(C)[C@H](CC[C@@]54O)C4=COC(=O)C=C4)C[C@H]3O[C@@H]2O1

InChIKey

InChIKey=SAZZQCDDXVHODK-UAOQGIRQSA-N

Formula

C32H40O12

Mass

616.66

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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 - Pyranone - Oxepane - Pyran - Oxane - Para-dioxane - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Lactone - Ketone - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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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