Structure Information
Structure

Compound Identification

SMILES

CC1CC(OC(C)=O)C(O)C(OC2CCC3(C=O)C4C(O)C(O)(CC(O)=O)C5(C)C(CCC5(O)C4CCC3(O)C2)C2=COC(=O)C=C2)O1

InChIKey

InChIKey=UMISROBSRYMTAZ-UHFFFAOYSA-N

Formula

C34H46O14

Mass

678.728

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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-oxosteroid - Hydroxysteroid - 5-hydroxysteroid - Oxosteroid - 14-hydroxysteroid - 11-hydroxysteroid - 12-hydroxysteroid - Pyranone - Pyran - Oxane - Dicarboxylic acid or derivatives - Tertiary alcohol - Cyclic alcohol - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Lactone - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxide - Alcohol - Aldehyde - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - 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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