Structure Information
Structure

Compound Identification

SMILES

CC12CCC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C=C4C(CC3(O)C1(O)CCC2C1=COC(=O)C=C1)OC(=O)CO

InChIKey

InChIKey=XMXCEKDHQGDXQH-UHFFFAOYSA-N

Formula

C32H44O13

Mass

636.691

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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 - 14-hydroxysteroid - Hydroxysteroid - Delta-4-steroid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Pyranone - Pyran - Monosaccharide - Oxane - Tertiary alcohol - Cyclic alcohol - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Lactone - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Polyol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Alcohol - Carbonyl group - Organic oxygen compound - 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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