Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](C[C@@H]5O[C@]45[C@@H]3C[C@@H]3O[C@]23C1)C1=CC(=O)OC1

InChIKey

InChIKey=RWYNJBPCAXEGHC-QXLNJBERSA-N

Formula

C25H30O7

Mass

442.508

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Vitamin D and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Vitamin D and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Polycyclic triterpenoid - Triterpenoid - Cardanolide-skeleton - Steroid lactone - Thromboxane - Steroid ester - Eicosanoid - 5,6-epoxysteroid - Terpene lactone - Naphthopyran - Fatty alcohol ester - Naphthalene - Oxepane - Fatty acid ester - Fatty acyl - Pyran - Oxane - Dicarboxylic acid or derivatives - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.

External Descriptors

Not available

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