Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](C[C@@]2(C)[C@H]3CC=C4C5=CC(C)(C)CC[C@]5(CC[C@]4(C)[C@@]3(C)CC[C@H]12)C(=O)OC)OC(C)=O

InChIKey

InChIKey=QXNFJGHXFSITPR-YZYISNTLSA-N

Formula

C36H52O8

Mass

612.804

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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 homopolycyclic compounds

Substituents

Steroid - Tetracarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic 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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