Structure Information
Structure

Compound Identification

SMILES

CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(C2)OC(C)=O)C2=COC(=O)C(O)=C2)C(O)C(O)C1O

InChIKey

InChIKey=KNIPQBPCRVVMMT-UHFFFAOYSA-N

Formula

C32H44O12

Mass

620.692

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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 - Steroid ester - 19-oxosteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Pyranone - Monosaccharide - Oxane - Pyran - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Lactone - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Carbonyl group - 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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