Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N1C(C(OC1(C)C)C(=O)OC1COC(=O)\C1=C/C[C@@H]1C(=C)CCC2[C@@]1(C)CC[C@H]1OC(C)(C)OC[C@@]21C)C1=CC=CC=C1

InChIKey

InChIKey=LJRKZDMVQYPTPB-JGKRNCPNSA-N

Formula

C40H55NO9

Mass

693.878

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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 - Ketal - Meta-dioxane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Benzenoid - Oxazolidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carbamic acid ester - Oxolane - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Azacycle - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - 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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