Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C2=COC(=O)C=C2)[C@H](O)[C@H](O)[C@H]1O

InChIKey

InChIKey=KRRRXGPOQIUVMH-QEOBHVBUSA-N

Formula

C30H40O9

Mass

544.641

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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

Steroidal glycoside - Bufanolide-skeleton - 19-oxosteroid - Oxosteroid - Hydroxysteroid - 14-hydroxysteroid - Delta-4-steroid - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Pyranone - Pyran - Oxane - Monosaccharide - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - 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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