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Structure Information
Structure

Compound Identification

SMILES

CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@@]2(CC[C@]3(C)[C@H](CC[C@@]3(C)[C@H]12)[C@H](C)C\C=C\C(C)=C)C=O

InChIKey

InChIKey=WZZAXQGYJDXEDP-UJBPRPQUSA-N

Formula

C31H48O3

Mass

468.722

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Cucurbitacins

Intermediate Tree Nodes

Not available

Direct Parent

Cucurbitacins

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Cucurbitacin skeleton - Triterpenoid - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - 14-alpha-methylsteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Hydroxysteroid - Delta-5-steroid - Cyclic alcohol - Secondary alcohol - Ether - Dialkyl ether - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aldehyde - Alcohol - Organic oxygen compound - Organic oxide - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions.

External Descriptors

Not available

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