Structure Information
Structure

Compound Identification

SMILES

C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[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=DIMVUFICPPIRQD-CQSXLOEPSA-N

Formula

C42H70O14

Mass

799.008

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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 - 25-hydroxysteroid - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - 14-alpha-methylsteroid - Hydroxysteroid - 11-oxosteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Oxosteroid - Delta-5-steroid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Disaccharide - Oxane - Fatty acyl - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Polyol - Organoheterocyclic compound - Acetal - Oxacycle - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen compound - Organic oxide - 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

Not available

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