Structure Information
Structure

Compound Identification

SMILES

C[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O.C[C@]12CC[C@H]3[C@@H](CCC45CC4CCC[C@]35C)[C@@H]1CC[C@@H]2C1=COC(=O)C=C1

InChIKey

InChIKey=RAOUPHVIEPETBA-FOYBWZSHSA-N

Formula

C31H46O7

Mass

530.702

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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

Not available

Substituents

Bufanolide-skeleton - Hexose monosaccharide - Pyranone - Pyran - Monosaccharide - Oxane - Heteroaromatic compound - 1,2-diol - Hemiacetal - Lactone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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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