Compound Identification
SMILES
COC1C(O)C(O)COC1OC1C(OCC(C)C(C)C=CC(C)C2CC(O)C3C2(C)CCC2C4(C)CCC(O)CC4C(O)CC32O)OCC(O)C1OS(O)(=O)=O
InChIKey
InChIKey=YPOMRMXJCHZQEA-UHFFFAOYSA-N
Formula
C39H66O16S
Mass
823.0
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
Ergostane steroids
- Level 5 Ergosterols and derivatives
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Subclass
Ergostane 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
Ergostane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Ergosterols and derivatives
Alternative Parents
Steroidal glycosides 3-hydroxysteroids 6-hydroxysteroids Disaccharides O-glycosyl compounds Sulfuric acid monoesters Oxanes Alkyl sulfates Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Dialkyl ethers Polyols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ergosterol-skeleton - Steroidal glycoside - 3-hydroxysteroid - 6-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Oxane - Cyclic alcohol - Tertiary alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Polyol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton.
External Descriptors
Not available