Compound Identification
SMILES
CC(C)CCCC(C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)NCCNCCCCNC1=C(NCCNC(=O)CCCCCCCCO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)C(=O)C1=O
InChIKey
InChIKey=XOHFLOLJKXCESN-NZWSEXICSA-N
Formula
C91H153N5O41
Mass
1973.219
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
Steroidal glycosides Oligosaccharides Delta-5-steroids Alkyl glycosides O-glycosyl compounds Secondary alkylarylamines N-acyl amines Oxanes Vinylogous amides Carbamate esters Secondary carboxylic acid amides Cyclic ketones Secondary alcohols Dialkylamines Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cholesterol - Steroidal glycoside - Oligosaccharide - Delta-5-steroid - Fatty acyl glycoside - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Secondary aliphatic/aromatic amine - Fatty amide - Fatty acyl - N-acyl-amine - Oxane - Vinylogous amide - Carbamic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Cyclic ketone - Secondary amine - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Primary alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organic nitrogen compound - Alcohol - 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