Compound Identification
SMILES
CCC(C)(C)CC[C@](C)(CO)CC[C@]1(C)[C@](C)(O)[C@H](O)C=C2[C@@]3(C)C=C(C#N)C(=O)C(C)(C)[C@@H]3CC[C@@]12C
InChIKey
InChIKey=GCQRCLLNZXHVQZ-OHHUZFQHSA-N
Formula
C33H53NO4
Mass
527.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Sesterterpenoids
- Level 5 Cheilanthane sesterterpenoids
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Subclass
Sesterterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesterterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Cheilanthane sesterterpenoids
Alternative Parents
3-oxo-5-alpha-steroids 12-beta-hydroxysteroids Hydrophenanthrenes Cyclohexenones Tertiary alcohols Secondary alcohols Nitriles Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cheilanthane sesterterpenoid - 3-oxosteroid - 12-hydroxysteroid - 13-hydroxysteroid - Hydroxysteroid - Oxosteroid - 12-beta-hydroxysteroid - 3-oxo-5-alpha-steroid - Steroid - Hydrophenanthrene - Phenanthrene - Cyclohexenone - Tertiary alcohol - Cyclic ketone - Secondary alcohol - Ketone - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - Organic oxide - Cyanide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Primary alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cheilanthane sesterterpenoids. These are sesterterpnoids with a structure based on the cheilanthane backbone. Cheilanthane is a tricyclic compound consisting of a tetradecahydrophenanthrene ring system that carries two methyl groups at the 1-position, one methyl group at the 4a-,7-, and 8a-positions, as well as a 3-methylpentyl group at the 8-position.
External Descriptors
Not available