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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Estrane steroids
- Level 5 Estrogens and derivatives
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Subclass
Estrane steroids
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
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
3-hydroxysteroids Phenanthrenes and derivatives Tetralins Tricarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Alpha hydroxy acids and derivatives Tertiary alcohols Trialkylamines Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
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