Structure Information
Structure

Compound Identification

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC\C=C1/CCC2C3[C@H](C)CC4=C(C=CC(O)=C4)C3CCC12C

InChIKey

InChIKey=HAHKHWDWBDUZPF-MFMNABARSA-N

Formula

C33H49NO9

Mass

603.753

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Estrane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Estrogens and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - Phenanthrene - Tetralin - Tricarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alpha-hydroxy acid - Hydroxy acid - Benzenoid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.

External Descriptors

Not available

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