Structure Information
Structure

Compound Identification

SMILES

[H]C(CC1([H])C(=C)CCC2([H])C1(C)CCC1([H])OC([H])(OCC21C)C1=CC=C(O)C=C1)=C1C(=O)OCC1([H])O

InChIKey

InChIKey=VRFBIBCMJPRCGB-UHFFFAOYSA-N

Formula

C27H34O6

Mass

454.563

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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 - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Meta-dioxane - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - 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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