Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CC[C@@H]2N(C1)C[C@H]1C3(O)CC45O[C@@]6(OC(=O)C7=CC=CC=C7)C(CC[C@H]4C3(O)C[C@H](O)C1(O)[C@]2(C)O)[C@]5(C)CC[C@H]6OC(=O)C1=CC=CC=C1

InChIKey

InChIKey=GMDIBVJDVRKJIL-MARILHKFSA-N

Formula

C41H51NO10

Mass

717.856

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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

Cerveratrum-type alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cerveratrum-type alkaloid - Azasteroid - Benzoate ester - Quinolizidine - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Ketal - Oxepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Tertiary alcohol - Tetrahydrofuran - Cyclic alcohol - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Polyol - Oxacycle - Carboxylic acid derivative - Acetal - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cerveratrum-type alkaloids. These are steroidal alkaloids containing the cevane (23-methyl-4- azahexacyclo[12.11.0.0^{2,11}.0^{4,9}.0^{15,24}.0^{18,23}]pentacosane) moiety, which is a six ring system. Cerveratrum alkaloids have 7-9 oxygen atoms and occur as free alkamines or esters of simple aliphatic or aromatic acids.

External Descriptors

Not available

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