Compound Identification
SMILES
[H][C@@]12CC[C@]3([H])[C@]([H])(O)[C@@]([H])(O)CC[C@]3(C)[C@@]1([H])C[C@@]1(O)[C@]3([H])CN4C[C@@]([H])(C)CC[C@@]4([H])[C@@](C)(O)[C@@]3(O)[C@@]([H])(O)C[C@@]21O
InChIKey
InChIKey=OXSYGCRLQCGSAQ-SPPDALOOSA-N
Formula
C27H45NO7
Mass
495.657
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 Alkaloids and derivatives Piperidines Tertiary alcohols Trialkylamines Secondary alcohols Cyclic alcohols and derivatives 1,2-aminoalcohols Polyols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cerveratrum-type alkaloid - Azasteroid - Quinolizidine - Alkaloid or derivatives - Piperidine - Cyclic alcohol - Tertiary alcohol - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Polyol - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - 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