Compound Identification
SMILES
CC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OP(O)(=O)OCCC=C(C1=CC(C(O)=O)=C(O)C(Cl)=C1)C1=CC(C(O)=O)=C(O)C(Cl)=C1
InChIKey
InChIKey=QFDCQXIDBLOHPQ-NIPJACRCSA-N
Formula
C45H59Cl2O10P
Mass
861.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 Diphenylmethanes Salicylic acids 3-halobenzoic acids Halobenzoic acids Benzoic acids Styrenes O-chlorophenols Benzoyl derivatives Dialkyl phosphates Chlorobenzenes Aryl chlorides Vinylogous acids Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholesterol - Delta-5-steroid - Diphenylmethane - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 2-halophenol - Styrene - 2-chlorophenol - Chlorobenzene - Dialkyl phosphate - Halobenzene - Phenol - Monocyclic benzene moiety - Phosphoric acid ester - Alkyl phosphate - Aryl halide - Aryl chloride - Benzenoid - Organic phosphoric acid derivative - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organooxygen compound - Organochloride - Aromatic homopolycyclic 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