Compound Identification
SMILES
COC1C(OC2C(OCC(\C=C\[C@@H](C)[C@H]3[C@@H](O)[C@@H](O)C4[C@]3(C)CCC3[C@@]5(C)CC[C@H](O)CC5[C@@H](O)C[C@@]43O)C(C)C)OC(C(O)CO)C2O)OCC(O)C1O
InChIKey
InChIKey=LKRMDQRKDNXNEV-PCNMVGBSSA-N
Formula
C40H68O15
Mass
788.969
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 16-beta-hydroxysteroids 3-beta-hydroxysteroids 6-hydroxysteroids Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides O-glycosyl compounds Disaccharides Oxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Acetals Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ergosterol-skeleton - Steroidal glycoside - 3-hydroxysteroid - 3-beta-hydroxysteroid - 16-hydroxysteroid - 16-beta-hydroxysteroid - 6-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - Secondary alcohol - Polyol - Dialkyl ether - Oxacycle - Ether - Acetal - Organoheterocyclic compound - Primary alcohol - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - 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