Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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