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Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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