Compound Identification
SMILES
CC1(C)CCC2(CC=C3[C@]4(C)CCC5C(C)(C)[C@H](C[C@@H](O)[C@]5(C)C4CC[C@@]3(C)C2C1)OC(=O)C1=CC=C(O)C=C1)C(O)=O
InChIKey
InChIKey=VGODRAUARQJBJM-RMWPNCDNSA-N
Formula
C37H52O6
Mass
592.817
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
p-Hydroxybenzoic acid alkyl esters Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Scalarane sesterterpenoid - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Alcohol - Aromatic 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