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Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCCCCCC(=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)C2=COC(=O)C=C2)C1

InChIKey

InChIKey=BBGVAHZTKNHGKF-NCNSHVOASA-N

Formula

C33H46O7

Mass

554.724

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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 - Steroid ester - Naphthopyran - Naphthalene - Fatty acid ester - Pyranone - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Oxane - Pyran - Fatty acyl - Heteroaromatic compound - Methyl ester - Lactone - Carboxylic acid ester - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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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