Structure Information
Structure

Compound Identification

SMILES

CC=C(C)C(=O)OC[C@@]12[C@@H](O)C[C@@H]3C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(CO)[C@H](CC[C@]43C)OC[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]1CC(C)(C)[C@@H](O)[C@@H]2O

InChIKey

InChIKey=UFLYNGKHUIKDJO-YDVFSOTJSA-N

Formula

C41H64O13

Mass

764.95

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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

Aliphatic heteropolycyclic compounds

Substituents

Steroid - Glucuronic acid or derivatives - Hexose monosaccharide - Glycosyl compound - C-glycosyl compound - Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Pyran - Oxane - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic 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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