Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)O[C@]11CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC2=C1C

InChIKey

InChIKey=HWMLIXIYZGSQAC-QDVHUHAASA-N

Formula

C42H49NO4

Mass

631.857

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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

Aromatic heteropolycyclic compounds

Substituents

Jerveratrum-type alkaloid - Azasteroid - Fluorene - Piperidinecarboxylic acid - Alkaloid or derivatives - Cyclohexenone - Piperidine - Benzenoid - Carbamic acid ester - Oxolane - Cyclic ketone - Ketone - Organoheterocyclic compound - Azacycle - Oxacycle - Dialkyl ether - Ether - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic 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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