Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2S(=O)(=O)C2=CC=CC=C2)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3C[C@H]2C1=C)OCC1=CC=CC=C1

InChIKey

InChIKey=IQCMGEDCYUELPF-VGWDKVJVSA-N

Formula

C40H51NO4S

Mass

641.91

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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 - Benzenesulfonamide - Benzenesulfonyl group - Benzylether - Alkaloid or derivatives - Monocyclic benzene moiety - Piperidine - Organosulfonic acid amide - Benzenoid - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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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