Compound Identification
SMILES
CC(C)[C@@H](C)[C@@H]1O[C@H]1[C@@H](C)[C@H]1CC[C@H]2C3=CCC4[C@H](OS(O)(=O)=O)[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=IEADRGWOOOMUDZ-CZZLVXMFSA-N
Formula
C28H46O7S
Mass
526.73
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
3-hydroxy delta-7-steroids 3-beta-hydroxysteroids 12-beta-hydroxysteroids Delta-7-steroids Sulfated steroids Sulfuric acid monoesters Cyclitols and derivatives Alkyl sulfates Secondary alcohols 1,2-diols Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cholesterol-skeleton - Sulfated steroid skeleton - 12-beta-hydroxysteroid - 3-beta-hydroxysteroid - Hydroxysteroid - 2-hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-7-steroid - Delta-7-steroid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Cyclitol or derivatives - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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