Structure Information
Structure

Compound Identification

SMILES

CC(C)(O)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

InChIKey

InChIKey=DJFUSGZOFOKWFY-HVNJZMCDSA-N

Formula

C30H48O4

Mass

472.71

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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 heteropolycyclic compounds

Substituents

Cucurbitacin skeleton - Triterpenoid - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - Hydroxysteroid - 11-oxosteroid - Oxosteroid - 3-beta-hydroxy-delta-5-steroid - 3-beta-hydroxysteroid - 14-alpha-methylsteroid - Delta-5-steroid - Tertiary alcohol - Cyclic alcohol - Tetrahydrofuran - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Aliphatic heteropolycyclic 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

CHEBI:5540 : triterpenoid saponin
KEGG (C08808) : Triterpenoids (C30)

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