Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CCC2c1ccc(=O)oc1

InChIKey

InChIKey=PBSOJKPTQWWJJD-QMNLSTKVSA-N

Formula

C24H34O5

Mass

402.531

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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 - 3-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - Pyranone - Pyran - Tertiary alcohol - Heteroaromatic compound - Cyclic alcohol - Secondary alcohol - Lactone - Polyol - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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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