Structure Information
Structure

Compound Identification

SMILES

COC(C)(C)\C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)C3[C@@H](O)C=C4C(CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C

InChIKey

InChIKey=JITGKINHLQAZRO-DWBWGUFHSA-N

Formula

C31H52O3

Mass

472.754

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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

Triterpenoid - Cucurbitacin skeleton - 3-hydroxy-delta-5-steroid - 14-alpha-methylsteroid - 3-hydroxysteroid - 7-hydroxysteroid - 7-alpha-hydroxysteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Hydroxysteroid - Delta-5-steroid - Cyclic alcohol - Secondary alcohol - Dialkyl ether - Ether - Organooxygen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - 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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