Compound Identification
SMILES
CC(=O)O[C@@H]1C[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3C[C@H](O)[C@]2(C)[C@@H](C=O)[C@@H]1C(C)=O
InChIKey
InChIKey=CITMISFQWNZYKB-KOWBMCPZSA-N
Formula
C28H44O5
Mass
460.655
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
Prenol lipids
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Subclass
Sesterterpenoids
- Level 5 Scalarane 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
Scalarane sesterterpenoids
Alternative Parents
7-beta-hydroxysteroids 17-oxosteroids Secondary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Scalarane sesterterpenoid - Hydroxysteroid - 17-oxosteroid - 7-hydroxysteroid - 7-beta-hydroxysteroid - Oxosteroid - Steroid - Cyclic alcohol - Carboxylic acid ester - Ketone - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Aldehyde - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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