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Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1O[C@]23C=C[C@H]4[C@]5(C)CC[C@H]([C@H](C)C\C=C\C(C)(C)OC)[C@@]5(C)CC[C@]14[C@@H]2CC[C@H](O)C3(C)C

InChIKey

InChIKey=PCHCXXYKHCXPSQ-FJKUPRPISA-N

Formula

C32H52O4

Mass

500.764

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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

Triterpenoid - Cucurbitacin skeleton - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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

Not available

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