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Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C[C@H]4O[C@@]324)[C@]23O[C@H]2OC(=O)C=C3)C1

InChIKey

InChIKey=UPJRAHLUSLORRM-BPFDFDKDSA-N

Formula

C28H38O6

Mass

470.606

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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

Aliphatic heteropolycyclic compounds

Substituents

Bufanolide-skeleton - Steroid ester - Naphthopyran - Naphthalene - Enol ester epoxide - Dihydropyranone - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Oxane - Pyran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Carboxylic acid ester - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic 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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