Compound Identification
SMILES
COC[C@@H](O)[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3CC4=C5[C@@H](O)[C@@H](O)[C@H]6C[C@@H](O)CC[C@@]6(C)[C@H]5CC[C@@]4(C)[C@H]3[C@H](C)CCC(=C)C(C)C)O[C@H]2[C@H](O)COC)[C@H](O)[C@H]1O
InChIKey
InChIKey=FUWIMIQPBOPYNH-GKMFNVFMSA-N
Formula
C42H70O14
Mass
799.008
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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 7-alpha-hydroxysteroids 6-hydroxysteroids 3-beta-hydroxysteroids O-glycosyl compounds Disaccharides Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Acetals Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ergosterol-skeleton - Steroidal glycoside - 7-hydroxysteroid - 7-alpha-hydroxysteroid - 3-beta-hydroxysteroid - Hydroxysteroid - 6-hydroxysteroid - 3-hydroxysteroid - O-glycosyl compound - Glycosyl compound - Disaccharide - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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