Compound Identification
SMILES
[Cl-].CCC(C)C(=O)O[C@H]1[C@H](O)C2C(C[NH+]3C[C@@H](C)CC[C@H]3[C@@]2(C)O)C2C[C@@]34O[C@@]5(C)C([C@@H](OC(O)=O)[C@@H](OC(C)=O)C3[C@]12O)[C@]4(C)CC[C@@H]5OC(=O)C(C)(O)CC
InChIKey
InChIKey=IVOGIYDJLMXXSV-LXQDISIGSA-N
Formula
C41H64ClNO14
Mass
830.41
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 Tricarboxylic acids and derivatives Alkaloids and derivatives Fatty acid esters Oxepanes Piperidines Carbonic acid monoesters Tetrahydrofurans Tertiary alcohols Trialkylamines Carboxylic acid esters Cyclic alcohols and derivatives Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Dialkyl ethers Oxacyclic compounds Polyols Carbonyl compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cerveratrum-type alkaloid - Azasteroid - Quinolizidine - Alkaloid or derivatives - Tricarboxylic acid or derivatives - Fatty acid ester - Oxepane - Fatty acyl - Piperidine - Tertiary alcohol - Carbonic acid monoester - Tetrahydrofuran - Cyclic alcohol - Carbonic acid derivative - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Secondary alcohol - 1,2-aminoalcohol - Carboxylic acid derivative - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Polyol - Organic oxygen compound - Amine - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic chloride salt - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Organic oxide - 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