Compound Identification
SMILES
[2H]C([2H])([2H])C(C)(O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=INBGSXNNRGWLJU-HQTLNVIASA-N
Formula
C27H46O2
Mass
405.681
Taxonomic Classification
Taxonomy Tree
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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-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids Delta-5-steroids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Cholesterol-skeleton - 25-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Hydroxysteroid - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - 3-beta-hydroxysteroid - Delta-5-steroid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aliphatic 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
LIPIDMAPS (LMST01010002) : Cholesterol and derivatives