Compound Identification
SMILES
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3C[C@@H]4[C@H](CC(=O)[C@H]5C[C@H](CC[C@]45C)OC(=O)C4=CC=CC=C4)[C@@H]3CC[C@H]1[C@]2(C)O
InChIKey
InChIKey=AQGKXMYBXMXQKH-CNYRGOMJSA-N
Formula
C34H47NO4
Mass
533.753
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroidal alkaloids
- Level 5 Cerveratrum-type alkaloids
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Subclass
Steroidal alkaloids
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
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
Azasteroids and derivatives Quinolizidines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Piperidines Tertiary alcohols Trialkylamines Ketones Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cerveratrum-type alkaloid - Azasteroid - Benzoate ester - Quinolizidine - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Ketone - Carboxylic acid ester - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - 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