Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)NCCN(C)C1=CC2=C(C=C1)C(C1=CC(OCC3=CC=CC=N3)=C(C=C1)N(CC(O)=O)CC(O)=O)=C1C=CC(=O)C=C1O2
InChIKey
InChIKey=WQVMAGJJUDIILT-BGFSYXJPSA-N
Formula
C60H74N4O9
Mass
995.271
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
Cholestane steroids
- Level 5 Cholesterols and derivatives
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Subclass
Cholestane steroids
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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
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholesterols and derivatives
Alternative Parents
Delta-5-steroids Xanthenes Alpha amino acids Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines Dialkylarylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Pyridines and derivatives Carbamate esters Heteroaromatic compounds Amino acids Cyclic ketones Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cholesterol - Delta-5-steroid - Xanthene - Dibenzopyran - 1-benzopyran - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - Aminophenyl ether - Tertiary aliphatic/aromatic amine - Phenol ether - Phenoxy compound - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Cyclic ketone - Amino acid or derivatives - Amino acid - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
External Descriptors
Not available