Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)C3=CC=C(Br)C=C3)[C@]11O[C@@H]1C[C@@H]2[C@@]12O[C@@H]1OC(=O)C=C2

InChIKey

InChIKey=XVXQPEHCSXSVRM-CCCHQWECSA-N

Formula

C31H35BrO6

Mass

583.519

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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 - Naphthopyran - Naphthalene - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Enol ester epoxide - Halobenzene - Bromobenzene - Dihydropyranone - Benzenoid - Pyran - Oxane - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Oxirane - Organobromide - Organohalogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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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