Compound Identification
SMILES
[H][C@]1(O)C[C@@]2([H])[C@@](O)([C@@]([H])(O)C[C@@]34C[C@@](C)(O)[C@@]([H])(CC[C@@]3([H])[C@@]2(C)O)[C@@]4([H])OC(C)=O)C1(C)C
InChIKey
InChIKey=NXCYBYJXCJWMRY-CJZCAICLSA-N
Formula
C22H36O7
Mass
412.523
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
- Level 5 Grayanoids
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Subclass
Diterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Grayanoids
Direct Parent
Leucothol and grayanotoxane diterpenoids
Alternative Parents
Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Grayanotoxane diterpenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as leucothol and grayanotoxane diterpenoids. These are diterpenoids with a structure based either on the leucothol or the grayanotoxane skeleton.
External Descriptors
Not available