Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=COC(=O)C=C2)[C@H](O)[C@H](O)[C@H]1O

InChIKey

InChIKey=NJGJKFPZKLQFIU-MTUTWWBMSA-N

Formula

C30H44O10

Mass

564.672

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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 - Steroidal glycoside - 19-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Pyranone - Pyran - Monosaccharide - Oxane - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Lactone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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