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Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC3C(CC[C@@H]4C[C@H](CC[C@]34C)OC=O)[C@]11O[C@@H]1C[C@@H]2C12OC1OC(=O)C=C2

InChIKey

InChIKey=CMYYMVGNLZUIOQ-WMMPYYFESA-N

Formula

C25H32O6

Mass

428.525

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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 - Dicarboxylic acid or derivatives - 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 - Organic oxygen compound - Organooxygen 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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