Compound Identification
SMILES
C[C@H]1CC[C@@H]2N(C1)CC1[C@]3(O)C[C@@]45O[C@@]6(OC(C)=O)C(CCC4[C@]3(O)C[C@H](O)[C@]1(O)[C@]2(C)O)[C@]5(C)CC[C@H]6OC(C)=O
InChIKey
InChIKey=RCNOCCZJZIKCMZ-PSODFFRQSA-N
Formula
C31H47NO10
Mass
593.714
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Quinolizidines Alkaloids and derivatives Ketals Oxepanes Dicarboxylic acids and derivatives Piperidines Tertiary alcohols Tetrahydrofurans Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Trialkylamines Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Polyols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cerveratrum-type alkaloid - Azasteroid - Quinolizidine - Alkaloid or derivatives - Ketal - Oxepane - Piperidine - Dicarboxylic acid or derivatives - Tertiary alcohol - Cyclic alcohol - Tetrahydrofuran - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - 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