Compound Identification
SMILES
[H][C@]1(C[C@@]2([H])[C@]3(C)CC[C@@]4([H])[C@@](C)(CC)CCC[C@]4(C)[C@]3([H])C[C@]([H])(OC(C)=O)[C@]2(C)[C@@]([H])(C=O)[C@]1([H])C(C)=O)OC(C)=O
InChIKey
InChIKey=UJPRDCNDXGXVAD-OAUKSWPRSA-N
Formula
C31H48O6
Mass
516.719
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
17-oxosteroids Dicarboxylic acids and derivatives Ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Scalarane sesterterpenoid - Oxosteroid - 17-oxosteroid - Steroid - Dicarboxylic acid or derivatives - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - 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