Compound Identification
SMILES
C[C@@H]([C@H](C)C(C)(C)OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)O[C@]11[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12COC(C)=O
InChIKey
InChIKey=XOJRUWKKDXDTAW-VZSSOFQGSA-N
Formula
C35H54O9
Mass
618.808
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
Steroid esters 3-oxo-5-alpha-steroids 16-beta-hydroxysteroids Tricarboxylic acids and derivatives Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ergosterol-skeleton - Steroid ester - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 3-oxo-5-alpha-steroid - 16-hydroxysteroid - 16-beta-hydroxysteroid - Tricarboxylic acid or derivatives - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - 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