Compound Identification
SMILES
COC1=CC=C(CCC(=O)[C@H]2CC[C@H]3[C@@H]4CC=C5C=C(CC[C@]5(C)[C@H]4CC[C@]23C)C(O)=O)C=C1
InChIKey
InChIKey=TVNJACDBTPBQTI-XLQNIAEWSA-N
Formula
C30H38O4
Mass
462.63
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroid acids
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Level 5
3-carboxy steroids
- Level 6 3-carboxy-20-oxosteroids
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Level 5
3-carboxy steroids
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Subclass
Steroid acids
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroid acids
Intermediate Tree Nodes
3-carboxy steroids
Direct Parent
3-carboxy-20-oxosteroids
Alternative Parents
20-oxosteroids Androstane steroids Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
3-carboxy-20-oxosteroid - 20-oxosteroid - Androstane-skeleton - Oxosteroid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ketone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-carboxy-20-oxosteroids. These are steroid compounds that carry a carboxyl group and a C=O group at the C3- and C20-positions of the steroid backbone, respectively.
External Descriptors
Not available