Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC(=O)C(C)(O1)C1C(O)CC2(C)C3CC=C4C(CCC(OC(C)=O)C4(C)C)C3(C)C(=O)CC12C

InChIKey

InChIKey=OAQPMBCYFIHMTG-UHFFFAOYSA-N

Formula

C32H46O6

Mass

526.714

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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 - 21-oxosteroid - Steroid ester - Hydroxysteroid - 11-oxosteroid - Oxosteroid - 16-hydroxysteroid - Delta-5-steroid - 3-furanone - Vinylogous ester - Cyclic alcohol - Dihydrofuran - Cyclic ketone - Carboxylic acid ester - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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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