Compound Identification
SMILES
COC(=O)C1=CCC2[C@]3(C)CCC4C(C)(C)CCC[C@]4(COC(C)=O)C3CC[C@]2(C)[C@@H]1C=O
InChIKey
InChIKey=ASDDNTIFAUVZTF-RXHMZUAMSA-N
Formula
C28H42O5
Mass
458.639
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesterterpenoids
- Level 5 Scalarane sesterterpenoids
-
Subclass
Sesterterpenoids
-
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
Scalarane sesterterpenoids
Alternative Parents
17-oxosteroids Dicarboxylic acids and derivatives Methyl esters Enoate esters Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Scalarane sesterterpenoid - 17-oxosteroid - Oxosteroid - Steroid - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aldehyde - Carbonyl group - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as scalarane sesterterpenoids. These are sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions.
External Descriptors
Not available