Structure Information
Structure

Compound Identification

SMILES

C[C@@]12COC(O[C@@H]1CC[C@@]1(C)[C@H](CC=C3[C@H](O)COC3=O)C(=C)CC[C@H]21)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=JAYRPJPTJQGNPA-KUULWGSJSA-N

Formula

C28H34O7

Mass

482.573

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Steroids and steroid derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Steroid - Benzodioxole - Meta-dioxane - Benzenoid - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Secondary alcohol - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.

External Descriptors

Not available

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