Compound Identification
SMILES
CC1(C)CC[C@@]2(CC=C3[C@]4(C)CCC5C(C)(C)[C@H](CC[C@]5(C)C4CC[C@@]3(C)C2C1)OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O
InChIKey
InChIKey=DISWUMYSZWWBEB-KLRBRHGASA-N
Formula
C39H54O5
Mass
602.856
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
Coumaric acid esters Coumaric acids and derivatives Cinnamic acid esters Styrenes Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Enoate esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Scalarane sesterterpenoid - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - 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