Structure Information
Structure

Compound Identification

SMILES

CC[C@@]12CC[C@]3(C)C(CCC3(C)C1CCC1C2CC[C@H](OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)C1(C)C)C(C)CCC=C(C)C

InChIKey

InChIKey=QVZGAIWUSYVGBJ-HJSCNZPOSA-N

Formula

C41H62O4

Mass

618.943

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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

Aromatic homopolycyclic compounds

Substituents

Cucurbitacin skeleton - Triterpenoid - Steroid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Styrene - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic 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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