Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@@H]2NC[C@@H](C)C[C@@H]2O[C@@]11CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C2=C1C

InChIKey

InChIKey=CLEXYFLHGFJONT-HWBRJJOBSA-N

Formula

C27H39NO3

Mass

425.613

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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 - Piperidine - Cyclic alcohol - Tetrahydrofuran - Ketone - Secondary alcohol - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Secondary amine - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Alcohol - 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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