Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2OC11CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC22CC12C

InChIKey

InChIKey=JLSYVOULHRUIEQ-PBTXYNIJSA-N

Formula

C28H41NO2

Mass

423.641

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroidal alkaloids

Intermediate Tree Nodes

Not available

Direct Parent

Jerveratrum-type alkaloids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Jerveratrum-type alkaloid - Azasteroid - Alkaloid or derivatives - Cyclohexenone - Piperidine - Oxolane - Ketone - Cyclic ketone - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Secondary amine - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as jerveratrum-type alkaloids. These are steroidal alkaloids with a structure that is based on the jervane ring system. Jerveratrum alkaloids have alkamines with 1-3 oxygen atoms, and occur as such or as monoglycosides.

External Descriptors

Not available

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