Compound Identification
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](OS(C)(=O)=O)[C@H]4CC(=O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=XLEQBUJYAMGQIN-CGYYCCGMSA-N
Formula
C28H46O6S
Mass
510.73
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
1-alpha,2-epoxy-3-oxo-5-alpha-steroids Hydroxysteroids 3-oxo-5-alpha-steroids Oxepanes Sulfonic acid esters Organosulfonic acid esters Tertiary alcohols Sulfonyls Methanesulfonates Ketones Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cholesterol-skeleton - 25-hydroxysteroid - 1-alpha,2-epoxy-3-oxo-5-alpha-steroid - 1,2-epoxy-3-oxo-steroid - 3-oxosteroid - Oxosteroid - 3-oxo-5-alpha-steroid - Oxepane - Organosulfonic acid ester - Sulfonic acid ester - Tertiary alcohol - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Ketone - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Oxirane - Ether - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Organosulfur compound - Aliphatic 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