Compound Identification
SMILES
CCC(C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@@]34O[C@]5(O)[C@@H](C[C@@H](OC(C)=O)[C@H]3[C@]12O)[C@]4(C)CC[C@@H]5OC(=O)C(C)(O)C(C)OC(C)=O
InChIKey
InChIKey=KBGNYIWYDYVUFP-JZPHTAIDSA-N
Formula
C41H63NO14
Mass
793.948
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
-
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 Tetracarboxylic acids and derivatives Quinolizidines Alkaloids and derivatives Oxepanes Fatty acid esters Piperidines Tetrahydrofurans Tertiary alcohols Trialkylamines Secondary alcohols Hemiacetals Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Polyols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cerveratrum-type alkaloid - Azasteroid - Tetracarboxylic acid or derivatives - Quinolizidine - Alkaloid or derivatives - Oxepane - Fatty acid ester - Fatty acyl - Piperidine - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Amino acid or derivatives - 1,2-aminoalcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aliphatic 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